Exact Mass: 310.1627596

Exact Mass Matches: 310.1627596

Found 500 metabolites which its exact mass value is equals to given mass value 310.1627596, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Sinapine

Ethanaminium, 2-(((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-N,N,N-trimethyl-

[C16H24NO5]+ (310.16543939999997)


Sugar phosphate, also known as sinapoylcholine or sinapine, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Sugar phosphate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Sugar phosphate can be found in a number of food items such as common sage, tea leaf willow, broccoli, and sweet bay, which makes sugar phosphate a potential biomarker for the consumption of these food products. Sugar phosphate exists in all living organisms, ranging from bacteria to humans. Sinapine (CAS: 18696-26-9), also known as sinapoylcholine, belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. Sinapine is an extremely weak basic (essentially neutral) compound (based on its pKa). Sinapine has been detected, but not quantified, in garden cress and horseradish. Sinapine is found in brassicas. It is a storage protein isolated from the seeds of Brassica napus (rape). This could make sinapine a potential biomarker for the consumption of these foods. Sinapine is an acylcholine in which the acyl group specified is sinapoyl. It has a role as a photosynthetic electron-transport chain inhibitor, an antioxidant and a plant metabolite. It is functionally related to a trans-sinapic acid. Sinapine is a natural product found in Alliaria petiolata, Isatis quadrialata, and other organisms with data available. IPB_RECORD: 244; CONFIDENCE confident structure Sinapine is an alkaloid isolated from seeds of the cruciferous species. Sinapine exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4]. Sinapine is an alkaloid isolated from seeds of the cruciferous species. Sinapine exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4].

   

Cannabinol

3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran

C21H26O2 (310.1932696)


C308 - Immunotherapeutic Agent > C574 - Immunosuppressant

   

Mestranol

(1S,10R,11S,14R,15S)-14-ethynyl-5-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-ol

C21H26O2 (310.1932696)


Mestranol is only found in individuals that have used or taken this drug. It is the 3-methyl ether of ethinyl estradiol. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL contraceptives. [PubChem]Mestranol is the 3-methyl ether of ethinylestradiol. Ethinylestradiol, is a synthetic derivative of estradiol. Ethinylestradiol is orally bio-active and the estrogen used in almost all modern formulations of combined oral contraceptive pills. It binds to (and activates) the estrogen receptor. Mestranol is a biologically inactive prodrug of ethinylestradiol to which it is demethylated in the liver with a conversion efficiency of 70\\%.Estrogens diffuse into their target cells and interact with a protein receptor. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. The combination of an estrogen with a progestin suppresses the hypothalamic-pituitary system, decreasing the secretion of gonadotropin-releasing hormone (GnRH). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents

   

Pentaporphyrin I

21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11,13(22),14,16,18(21),19-undecaene

C20H14N4 (310.1218404)


Pentaporphyrin I is a porphyrin intermediate detected in liver, kidney and erythrocytes (PubMed ID 8803328 ).

   

Cupreine

4-[(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol

C19H22N2O2 (310.1681192)


   

ibogaine

Ibogamine, 12-methoxy-

C20H26N2O (310.2045026)


An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens

   

Raupine

Sarpagan-10,17-diol

C19H22N2O2 (310.1681192)


   
   

Botrydial

Botrydial

C17H26O5 (310.1780146)


A cytotoxic fungal metabolite isolated from plant tissues infected by phytopathogen Botrytis cinerea.

   
   

Nafenopin

2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid

C20H22O3 (310.15688620000003)


C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent D009676 - Noxae > D002273 - Carcinogens > D020025 - Peroxisome Proliferators D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites Same as: D05102

   

2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol

2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol

C20H22O3 (310.15688620000003)


   

7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran

7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran

C20H22O3 (310.15688620000003)


   

Mannopine

AGN-PC-0OKTBE

C11H22N2O8 (310.1376092)


A hexitol derivative that is D-mannitol in which the hydroxy group at position 1 is replaced by the alpha-amino group of L-glutamine. It is produced in crown gall tumours induced in a wide range of dicotyledenous plants by Agrobacterium tumefaciens.

   
   

Menaquinol

2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methylnaphthalene-1,4-diol

C21H26O2 (310.1932696)


This compound belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units.

   

Desloratadine

13-chloro-2-(piperidin-4-ylidene)-4-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene

C19H19ClN2 (310.1236684)


Desloratadine is a second generation, tricyclic antihistamine that which has a selective and peripheral H1-antagonist action. It is the active descarboethoxy metabolite of loratidine (a second generation histamine). Desloratidine has a long-lasting effect and does not cause drowsiness because it does not readily enter the central nervous system. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Desloratadine (Sch34117) is the orally active major metabolite of the nonsedating H1-antihistamine Loratadine. Desloratadine is a selective H1-receptor antagonist that has anti-allergic and anti-inflammatory activities[1][2]. Desloratadine (Sch34117) is the orally active major metabolite of the nonsedating H1-antihistamine Loratadine. Desloratadine is a selective H1-receptor antagonist that has anti-allergic and anti-inflammatory activities[1][2].

   

N-Desmethylcitalopram

1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile

C19H19FN2O (310.1481336)


N-Desmethylcitalopram is only found in individuals that have used or taken Citalopram.N-Desmethylcitalopram is a metabolite of Citalopram. N-desmethylcitalopram belongs to the family of Phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.

   

Bifonazole

(+-)1-([1,1-Biphenyl]-4-ylphenylmethyl)-1H-imidazole

C22H18N2 (310.14699079999997)


Bifonazole is only found in individuals that have used or taken this drug. It is an azole antifungal drug. [Wikipedia]Bifonazole works by inhibiting the production of a substance called ergosterol, which is an essential component of fungal cell membranes.It acts to destabilize the fungal cyctochrome p450 51 enzyme (also known as Lanosterol 14-alpha demethylase). This is vital in the cell membrance structure of the fungus. Its inhibition leads to cell lysis. The disruption in production of ergosterol disrupts the cell membrane and causes holes to appear. The cell membranes of fungi are vital for their survival. They keep unwanted substances from entering the cells and stop the contents of the cells from leaking out. As bifonazole causes holes to appear in the cell membranes, essential constituents of the fungal cells can leak out. This kills the fungi. D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent

   

Gestodene

(1S,2R,10R,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-6,12-dien-5-one

C21H26O2 (310.1932696)


Gestodene is only found in individuals that have used or taken this drug.Gestodene is a progestogen hormonal contraceptive. Products containing gestoden include Meliane, which contains 20 mcg of ethinylestradiol and 75 mcg of gestodene; and Gynera, which contains 30 mcg of ethinylestradiol and 75 mcg of gestodene. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents

   
   

3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide

6-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one

C17H26O5 (310.1780146)


3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide is found in green vegetables. 3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 3b-Hydroxy-6b,8a-dimethoxy-7(11)-eremophilen-12,8-olide is found in green vegetables.

   

2,3-Dehydrosalvipisone

3-hydroxy-6-methyl-5-[(2Z)-4-methylpenta-2,4-dien-1-yl]-2-(propan-2-yl)-1,4-dihydronaphthalene-1,4-dione

C20H22O3 (310.15688620000003)


2,3-Dehydrosalvipisone is found in alcoholic beverages. 2,3-Dehydrosalvipisone is a constituent of Salvia sclarea (clary sage). Constituent of Salvia sclarea (clary sage). 2,3-Dehydrosalvipisone is found in tea, alcoholic beverages, and herbs and spices.

   

Valdiate

4-[(Acetyloxy)methyl]-7-methyl-1H,4ah,5H,6H,7H,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoic acid

C17H26O5 (310.1780146)


Constituent of Valeriana officinalis variety sambucifolia. Valdiate is found in tea, fats and oils, and herbs and spices. Valdiate is found in fats and oils. Valdiate is a constituent of Valeriana officinalis var. sambucifolia.

   

(-)-Ibogaine

17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene

C20H26N2O (310.2045026)


   

(17R)-17-Hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

14-hydroxy-15-methyl-14-(prop-2-en-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6,16-trien-5-one

C21H26O2 (310.1932696)


   

(1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one

(1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one

C20H22O3 (310.15688620000003)


   

11-[3-(Dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol

2-[3-(dimethylamino)-2-methylpropyl]-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol

C20H26N2O (310.2045026)


   

O-Desmethylquinidine

4-({5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(hydroxy)methyl)quinolin-6-ol

C19H22N2O2 (310.1681192)


   

N-(Dimethylamino)methylene-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)guanine

N-(9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-6-oxo-6,9-dihydro-1H-purin-2-yl)-N,N-dimethylmethanimidamide

C12H18N6O4 (310.13894680000004)


   

Acetyl chloride, (2,4-bis(1-methylbutyl)phenoxy)-

Acetyl chloride, (2,4-bis(1-methylbutyl)phenoxy)-

C18H27ClO2 (310.16994719999997)


   

Avobenzone

1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione

C20H22O3 (310.15688620000003)


   

Cetamolol

2-{2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy}-N-methylethanimidate

C16H26N2O4 (310.1892476)


   

Delgocitinib

3-(3-methyl-6-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,6-diazaspiro[3.4]octan-1-yl)-3-oxopropanenitrile

C16H18N6O (310.1542018)


   

Glucitol-lysine

2-amino-6-[(2,3,4,5,6-pentahydroxyhexyl)amino]hexanoic acid

C12H26N2O7 (310.1739926)


   

Lersivirine

5-((3,5-Diethyl-1-(2-hydroxyethyl)(3,5-14c2)-1H-pyrazol-4-yl)oxy)benzene-1,3-dicarbonitrile

C17H18N4O2 (310.1429688)


C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent

   

Pamatolol

methyl N-[2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)ethyl]carbamate

C16H26N2O4 (310.1892476)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist

   

Plomestane

13-Methyl-10-(prop-2-yn-1-yl)-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione (non-preferred name)

C21H26O2 (310.1932696)


   

Porphycene

21,22,23,24-tetraazapentacyclo[16.2.1.1^{2,5}.1^{8,11}.1^{12,15}]tetracosa-1,3,5,7,9,11(23),12(22),13,15,17,19-undecaene

C20H14N4 (310.1218404)


   

3-(2,4-Dimethyl-5-(2-oxo-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrol-3-yl)propionic acid

3-{2,4-dimethyl-5-[(2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid

C18H18N2O3 (310.1317358)


D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors

   

VIQUALINE

4-[3-(3-ethenylpiperidin-4-yl)propyl]-6-methoxyquinoline

C20H26N2O (310.2045026)


   

Magnesium octanoate

Magnesium(2+) ion dioctanoic acid

C16H30MgO4 (310.199448)


It is used in foods as a binder, emulsifier and anticaking agent.

   

N-Methylnuciferine

(9R)-15,16-dimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0,.0,heptadeca-1(16),2,4,6,13(17),14-hexaen-10-ium

C20H24NO2+ (310.1806944)


   

O-Methyleburnamine

O-Methyl-(-)-eburnamine

C20H26N2O (310.2045026)


   

8beta-Acetoxy-9(12)-capnellene-8beta,10alpha,14-triol

8beta-Acetoxy-9(12)-capnellene-8beta,10alpha,14-triol

C17H26O5 (310.1780146)


   
   

3-O-Ethyllactarolide B

3-O-Ethyllactarolide B

C17H26O5 (310.1780146)


   

n-pentyl beta-carboline-1-propionate

n-pentyl beta-carboline-1-propionate

C19H22N2O2 (310.1681192)


   
   
   
   
   
   

Oxycineromycin B

7-O-Demethyl-18-hydroxy-albocycline

C17H26O5 (310.1780146)


   
   

6-Oxo-16,20-episilicine

6-Oxo-16,20-episilicine

C19H22N2O2 (310.1681192)


   

3-O-Ethyllactarolide A

3-O-Ethyllactarolide A

C17H26O5 (310.1780146)


   
   

7,4-Dihydroxy-3-prenylflavan

2H-1-Benzopyran-7-ol, 3,4-dihydro-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-, (2S)-

C20H22O3 (310.15688620000003)


(S)-2-(4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)chroman-7-ol is a natural product found in Broussonetia papyrifera with data available.

   
   
   
   

Spiranthol A

7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,5-diol

C20H22O3 (310.15688620000003)


Spiranthol A is a natural product found in Spiranthes sinensis and Spiranthes vernalis with data available.

   

Neobritannilactone A

Neobritannilactone A

C17H26O5 (310.1780146)


   
   
   
   
   

8beta-acetoxy-9(12)-capnellene-2beta,5alpha,10alpha-triol

8beta-acetoxy-9(12)-capnellene-2beta,5alpha,10alpha-triol

C17H26O5 (310.1780146)


   

3-[4,10-Epoxylinalyl]-5-methyl coumarin

3-[4,10-Epoxylinalyl]-5-methyl coumarin

C20H22O3 (310.15688620000003)


   

3beta,4alpha-Dihydroxy-13beta-methoxylupanine

3beta,4alpha-Dihydroxy-13beta-methoxylupanine

C16H26N2O4 (310.1892476)


   
   
   

3-Ethyl-1,3-ethano-1,3-propanospiro[1H-indole-2(3H),2-piperidine]-9,10-dione

3-Ethyl-1,3-ethano-1,3-propanospiro[1H-indole-2(3H),2-piperidine]-9,10-dione

C19H22N2O2 (310.1681192)


   
   
   
   
   

10-Hydroxynortetraphyllicine

10-Hydroxynortetraphyllicine

C19H22N2O2 (310.1681192)


   
   

5-Hexyl-2-thiopheneoctanoic acid

5-Hexyl-2-thiopheneoctanoic acid

C18H30O2S (310.19664)


   

(+)-Farformolide B

6beta,8beta-Dimethoxy-10beta-hydroxyeremophil-7(11)-en-12,8alpha-olide

C17H26O5 (310.1780146)


   
   

Dihydrocordoin

2-Hydroxy-4-prenyloxydihydrochalcone

C20H22O3 (310.15688620000003)


   

(+)-O-methylisoeburnamine

(+)-O-methylisoeburnamine

C20H26N2O (310.2045026)


   
   

Trimipramine N-oxide

Trimipramine N-oxide

C20H26N2O (310.2045026)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3561

   
   
   

5-fluoropentyl-3-pyridinoylindole

5-fluoropentyl-3-pyridinoylindole

C19H19FN2O (310.1481336)


   

Cannabinodiol

[1,1-Biphenyl]-2,6-diol, 5-methyl-2-(1-methylethenyl)-4-pentyl-; 5-Methyl-2-(1-methylethenyl)-4-pentyl[1,1-biphenyl]-2,6-diol; Cannabinodiol; CBND; 2-(2-Isopropenyl-5-methyl-phenyl)-5-pentyl-benzene-1,3-diol

C21H26O2 (310.1932696)


Cannabinodiol is a natural product found in Cannabis sativa with data available. See also: Cannabis sativa subsp. indica top (part of).

   

2-dodecoxyethyl hydrogen sulfate

2-dodecoxyethyl hydrogen sulfate

C14H30O5S (310.18138500000003)


D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials

   
   
   
   
   
   

cis-dihydropyrenophorin

cis-dihydropyrenophorin

C16H22O6 (310.1416312)


   

O-Methylisoburnamine

O-Methylisoburnamine

C20H26N2O (310.2045026)


   

2beta-acetoxy-Delta9(12)-capnellene-5alpha,8beta,10alpha-triol

2beta-acetoxy-Delta9(12)-capnellene-5alpha,8beta,10alpha-triol

C17H26O5 (310.1780146)


   

2E-decaene-4,6-diyn-1-O-beta-D-glucopyranoside

2E-decaene-4,6-diyn-1-O-beta-D-glucopyranoside

C16H22O6 (310.1416312)


   

3-O-alpha-L-Rhamnopyranosyl-L-rhamnose|alpha-Pyranose-form-3-O-alpha-L-Rhamnopyranosyl-L-rhamnose

3-O-alpha-L-Rhamnopyranosyl-L-rhamnose|alpha-Pyranose-form-3-O-alpha-L-Rhamnopyranosyl-L-rhamnose

C12H22O9 (310.1263762)


   
   

10-dehydroxydihydrobotrydialone

10-dehydroxydihydrobotrydialone

C17H26O5 (310.1780146)


   

Azuleno[5,6-c]furan-3(1H)-one, 8-ethoxy-4,4a,5,6,7,7a,8,9-octahydro-1,4-dihydroxy-6,6,8-trimethyl-

Azuleno[5,6-c]furan-3(1H)-one, 8-ethoxy-4,4a,5,6,7,7a,8,9-octahydro-1,4-dihydroxy-6,6,8-trimethyl-

C17H26O5 (310.1780146)


   
   

12- 0-acetylwaraterpol

12- 0-acetylwaraterpol

C17H26O5 (310.1780146)


   

17-Methoxyaspidofractinine #

17-Methoxyaspidofractinine #

C20H26N2O (310.2045026)


   

1-Ketoaethiopinone

7-methyl-8-(4-methylpent-4-enoyl)-3-propan-2-ylnaphthalene-1,2-dione

C20H22O3 (310.15688620000003)


1-Ketoaethiopinone is a natural product found in Salvia montbretii, Salvia candidissima, and other organisms with data available.

   

1,2-Dihydro-(Z,Z)-1,14-Diisothiocyanato-1,13-tetradecadiene

1,2-Dihydro-(Z,Z)-1,14-Diisothiocyanato-1,13-tetradecadiene

C16H26N2S2 (310.1537316)


   
   

2,3-dihydroxy-2-(2-hydroxy-4-methyl-5-methoxyphenyl)propyl tiglate

2,3-dihydroxy-2-(2-hydroxy-4-methyl-5-methoxyphenyl)propyl tiglate

C16H22O6 (310.1416312)


   

3alpha-acetoxy-4alpha-hydroxyeudesm-11(13)-en-12-oic acid

3alpha-acetoxy-4alpha-hydroxyeudesm-11(13)-en-12-oic acid

C17H26O5 (310.1780146)


   

2-(4-Hydroxyphenyl)-6-(1,1-dimethylallyl)-3,4-dihydro-2H-1-benzopyran-7-ol

2-(4-Hydroxyphenyl)-6-(1,1-dimethylallyl)-3,4-dihydro-2H-1-benzopyran-7-ol

C20H22O3 (310.15688620000003)


   

Isobutyric acid 2-hydroxy-2-[2-hydroxy-4-(acetoxymethyl)phenyl]propyl ester

Isobutyric acid 2-hydroxy-2-[2-hydroxy-4-(acetoxymethyl)phenyl]propyl ester

C16H22O6 (310.1416312)


   
   
   
   
   

19-hydroxy-7-oxo-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid

19-hydroxy-7-oxo-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid

C20H22O3 (310.15688620000003)


   
   
   

1beta,4alpha-dihydroxy-2alpha,3alpha-epoxy-8beta-methoxy-eudesma-7(11)-en-8alpha,12-olide

1beta,4alpha-dihydroxy-2alpha,3alpha-epoxy-8beta-methoxy-eudesma-7(11)-en-8alpha,12-olide

C16H22O6 (310.1416312)


   

1-deoxy-1-<(S)-2-(3-pyridyl)-1-pyrrolidinyl>-beta-D-fructopyranose|1-deoxy-1-[(S)-2-(3-pyridyl)-1-pyrrolidinyl]-beta-D-fructopyranose

1-deoxy-1-<(S)-2-(3-pyridyl)-1-pyrrolidinyl>-beta-D-fructopyranose|1-deoxy-1-[(S)-2-(3-pyridyl)-1-pyrrolidinyl]-beta-D-fructopyranose

C15H22N2O5 (310.1528642)


   

16-Epimethuenine N-oxide

16-Epimethuenine N-oxide

C19H22N2O2 (310.1681192)


   

Me glycoside-alpha-Pyranose-4-O-alpha-L-Rhamnopyranosyl-D-xylose

Me glycoside-alpha-Pyranose-4-O-alpha-L-Rhamnopyranosyl-D-xylose

C12H22O9 (310.1263762)


   

2-(1-Ethoxy-2-hydroxy)propyl-4-methoxyphenol-2-methyl-butyrate

2-(1-Ethoxy-2-hydroxy)propyl-4-methoxyphenol-2-methyl-butyrate

C17H26O5 (310.1780146)


   

15-0-acetylwaraterpol

15-0-acetylwaraterpol

C17H26O5 (310.1780146)


   

2,4-dihydroxy-3-(gamma,gamma-dimethylallyl)dihydrochalcone|eriochalcone B|erioschalcone B

2,4-dihydroxy-3-(gamma,gamma-dimethylallyl)dihydrochalcone|eriochalcone B|erioschalcone B

C20H22O3 (310.15688620000003)


   
   

3-(Acetyloxy)-2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl 2-methylpropanoate #

3-(Acetyloxy)-2-hydroxy-2-(2-hydroxy-4-methylphenyl)propyl 2-methylpropanoate #

C16H22O6 (310.1416312)


   

13-Hydroxyhobartine

13-Hydroxyhobartine

C20H26N2O (310.2045026)


   
   
   
   

2-prenyl-3,4-dihydroxy-5-methoxystilbene|3,4-dihydroxy-5-methoxy-2-prenylstilbene|5-Me ether-3,4,5-Trihydroxy-2-prenylstilbene

2-prenyl-3,4-dihydroxy-5-methoxystilbene|3,4-dihydroxy-5-methoxy-2-prenylstilbene|5-Me ether-3,4,5-Trihydroxy-2-prenylstilbene

C20H22O3 (310.15688620000003)


   

(1S*,4R*,5S*,8S*)-5-hydroxy-4-[(E)-7-hydroxy-4-methylhept-3-enyl]-4,8-dimethyl-3-oxabicyclo[3.3.0]octan-2,6-dione|gomadalactone C

(1S*,4R*,5S*,8S*)-5-hydroxy-4-[(E)-7-hydroxy-4-methylhept-3-enyl]-4,8-dimethyl-3-oxabicyclo[3.3.0]octan-2,6-dione|gomadalactone C

C17H26O5 (310.1780146)


   

(-)-14-decarbomethoxy-vincapusine|(-)-16-decarbomethoxyvincapusine

(-)-14-decarbomethoxy-vincapusine|(-)-16-decarbomethoxyvincapusine

C19H22N2O2 (310.1681192)


   

fusarentin 4,5-dimethyl ether|fusarentin 6,7-dimethyl ether|Fusarentin-dimethylether

fusarentin 4,5-dimethyl ether|fusarentin 6,7-dimethyl ether|Fusarentin-dimethylether

C16H22O6 (310.1416312)


   

11alpha,13-dihydro-6-deoxychamissonolide

11alpha,13-dihydro-6-deoxychamissonolide

C17H26O5 (310.1780146)


   
   

9-Tigloyl,2-Me ether-p-Mentha-1,3,5-triene-2,5,8,9,10-pentol

9-Tigloyl,2-Me ether-p-Mentha-1,3,5-triene-2,5,8,9,10-pentol

C16H22O6 (310.1416312)


   
   

(1beta,8beta)-11-(acetyloxy)-1,8-dihydroxyguai-4-en-3-one|(5S,6R,8S,8aS)-5-[1-(acetyloxy)-1-methylethyl]-4,5,6,7,8,8a-hexahydro-6,8a-dihydroxy-3,8-dimethylazulen-2(1H)-one

(1beta,8beta)-11-(acetyloxy)-1,8-dihydroxyguai-4-en-3-one|(5S,6R,8S,8aS)-5-[1-(acetyloxy)-1-methylethyl]-4,5,6,7,8,8a-hexahydro-6,8a-dihydroxy-3,8-dimethylazulen-2(1H)-one

C17H26O5 (310.1780146)


   
   
   

4-amorphen-11,15-diol, 15-malonate ester

4-amorphen-11,15-diol, 15-malonate ester

C17H26O5 (310.1780146)


   
   
   

4beta-Hydroxy-6alpha-acetoxy-11,13-dihydro-5,7alphaH,8,11betaH-eudesman-8,12-olide

4beta-Hydroxy-6alpha-acetoxy-11,13-dihydro-5,7alphaH,8,11betaH-eudesman-8,12-olide

C17H26O5 (310.1780146)


   

1-(1-2-S-Nornicotino)-1-deoxy-beta-D-fructofuranose

1-(1-2-S-Nornicotino)-1-deoxy-beta-D-fructofuranose

C15H22N2O5 (310.1528642)


   
   
   
   
   

10beta-methoxy-1alpha,11beta,13-tetrahydrolactucin

10beta-methoxy-1alpha,11beta,13-tetrahydrolactucin

C16H22O6 (310.1416312)


   
   
   

N(a)-demethylaccedine|N-Demethyl-16-epi-accedin|N-demethyl-16-epi-accedine|sarpagane-3,17-diol

N(a)-demethylaccedine|N-Demethyl-16-epi-accedin|N-demethyl-16-epi-accedine|sarpagane-3,17-diol

C19H22N2O2 (310.1681192)


   

3-Ac-Estra-17beta-1,3,5,7,9-pentaene-3,17-diol

3-Ac-Estra-17beta-1,3,5,7,9-pentaene-3,17-diol

C20H22O3 (310.15688620000003)


   

1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-hydroxy-

1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-hydroxy-

C20H22O3 (310.15688620000003)


   
   

blumeaene L

blumeaene L

C17H26O5 (310.1780146)


A natural product found in Blumea balsamifera.

   
   
   

(1E,5E)-8beta-acetoxy-4-alpha-hydroxy-7-betaH-germacra-1(10),5-dien-14-oic acid|(1E,5R,6E,8R,9R)-9-(acetyloxy)-5-hydroxy-5-methyl-8-(propan-2-yl)cyclodeca-1,6-diene-1-carboxylic acid

(1E,5E)-8beta-acetoxy-4-alpha-hydroxy-7-betaH-germacra-1(10),5-dien-14-oic acid|(1E,5R,6E,8R,9R)-9-(acetyloxy)-5-hydroxy-5-methyl-8-(propan-2-yl)cyclodeca-1,6-diene-1-carboxylic acid

C17H26O5 (310.1780146)


   

(4Z,5R)-4-ethylidene-3,4,6,7-tetrahydro-10-methoxy-6-methylidene-2,5-ethanoazocino[4,3-b]indol-5(1H)-ol|15alpha-hydroxy-10-methoxyapparicine

(4Z,5R)-4-ethylidene-3,4,6,7-tetrahydro-10-methoxy-6-methylidene-2,5-ethanoazocino[4,3-b]indol-5(1H)-ol|15alpha-hydroxy-10-methoxyapparicine

C19H22N2O2 (310.1681192)


   
   
   

(1beta,4Z,6beta,8alpha)-8-(acetyloxy)-1,10-dihydroxy-6,11-cyclogermacr-4-en-15-al|isovalerianin A|rel-9-(acetyloxy)-6,7-dihydroxy-7,11,11-trimethylbicyclo[8.1.0]undec-2-ene-3-carboxaldehyde

(1beta,4Z,6beta,8alpha)-8-(acetyloxy)-1,10-dihydroxy-6,11-cyclogermacr-4-en-15-al|isovalerianin A|rel-9-(acetyloxy)-6,7-dihydroxy-7,11,11-trimethylbicyclo[8.1.0]undec-2-ene-3-carboxaldehyde

C17H26O5 (310.1780146)


   
   
   
   

8alpha-hydroxy-1-O-methylhirsutinolide

8alpha-hydroxy-1-O-methylhirsutinolide

C16H22O6 (310.1416312)


   
   
   

3-(2-Phenyl-2-oxoethyl)-4-(3-methyl-2-butenyl)-5-methoxyphenol

3-(2-Phenyl-2-oxoethyl)-4-(3-methyl-2-butenyl)-5-methoxyphenol

C20H22O3 (310.15688620000003)


   

(Z)-Delta1,2-dehydroguggulsterone

(Z)-Delta1,2-dehydroguggulsterone

C21H26O2 (310.1932696)


   

2,2?-oxybis (4-allyl-1-methoxybenzene)|biseugenol B

2,2?-oxybis (4-allyl-1-methoxybenzene)|biseugenol B

C20H22O3 (310.15688620000003)


   
   
   

(-)-tasmanine|tasmanin|Tasmanine

(-)-tasmanine|tasmanin|Tasmanine

C20H26N2O (310.2045026)


   
   

(8S,9R)-9-Hydroxy-1H-cinchonan-2-on(?)|(8S,9R)-9-hydroxy-1H-cinchonan-2-one(?)

(8S,9R)-9-Hydroxy-1H-cinchonan-2-on(?)|(8S,9R)-9-hydroxy-1H-cinchonan-2-one(?)

C19H22N2O2 (310.1681192)


   

7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one

7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one

C20H22O3 (310.15688620000003)


   
   

(E)-Erycristanol A|erycristanol A

(E)-Erycristanol A|erycristanol A

C20H22O3 (310.15688620000003)


   

4-ethyl-7-methyl-4,4a,5,6,6a,7,12,12a-octahydro-1H,3H-2,6-cyclo-1,11b-methano-pyrido[3,4:4,5]cyclohepta[1,2-b]indol-3-ol|ajmalan-21-ol|Iso-sandwian

4-ethyl-7-methyl-4,4a,5,6,6a,7,12,12a-octahydro-1H,3H-2,6-cyclo-1,11b-methano-pyrido[3,4:4,5]cyclohepta[1,2-b]indol-3-ol|ajmalan-21-ol|Iso-sandwian

C20H26N2O (310.2045026)


   

6-carbamoyl-2-hydroxy-1-methoxynoraporphine

6-carbamoyl-2-hydroxy-1-methoxynoraporphine

C18H18N2O3 (310.1317358)


   

11-peroxy-8-oxo-9,10E-dehydro-10,11-dihydronerolidol acetate

11-peroxy-8-oxo-9,10E-dehydro-10,11-dihydronerolidol acetate

C17H26O5 (310.1780146)


   

3-ethyl-8-methyl-2,3-dihydro-1h-cyclopenta[a]chrysene

3-ethyl-8-methyl-2,3-dihydro-1h-cyclopenta[a]chrysene

C24H22 (310.1721412)


   

(-)-Wieland-Gumlich aldehyde|(17R)-Wieland-Gumich aldehyde|(17R,19E)-17,18-epoxy-cur-19-en-17-ol|17,18-epoxy-cur-19-en-17-ol|Desacetyl-diabolin|Desacetyldiabolin|Desacetylhenningsamin = Wieland-Gumlich-Aldehyd|Wieland - Gumlich aldehyde|Wieland-Gumich aldehyde|Wieland-Gumlich aldehyde|Wieland-Gumlich-Aldehyd

(-)-Wieland-Gumlich aldehyde|(17R)-Wieland-Gumich aldehyde|(17R,19E)-17,18-epoxy-cur-19-en-17-ol|17,18-epoxy-cur-19-en-17-ol|Desacetyl-diabolin|Desacetyldiabolin|Desacetylhenningsamin = Wieland-Gumlich-Aldehyd|Wieland - Gumlich aldehyde|Wieland-Gumich aldehyde|Wieland-Gumlich aldehyde|Wieland-Gumlich-Aldehyd

C19H22N2O2 (310.1681192)


   

Ervincidin|ervincidine|sarpagane-6,17-diol

Ervincidin|ervincidine|sarpagane-6,17-diol

C19H22N2O2 (310.1681192)


   

4,5,6a,7,7a,11a-hexahydro-3,8,8-trimethyl-6a,11a-(epoxymethano)phenanthro(10,1-bc)pyran-9(8H)-one|4,5,6a,7,7a,11a-hexahydro-3,8,8-trimethyl-6a,11a-(epoxymethano)phenanthro<10,1-bc>pyran-9(8H)-one|7,16:7,20-Diepoxy-1,8,11,13-cleistanthatetraen-3-one

4,5,6a,7,7a,11a-hexahydro-3,8,8-trimethyl-6a,11a-(epoxymethano)phenanthro(10,1-bc)pyran-9(8H)-one|4,5,6a,7,7a,11a-hexahydro-3,8,8-trimethyl-6a,11a-(epoxymethano)phenanthro<10,1-bc>pyran-9(8H)-one|7,16:7,20-Diepoxy-1,8,11,13-cleistanthatetraen-3-one

C20H22O3 (310.15688620000003)


   

15-O-acetyl-11alphaH,13-dihydrorudmollin

15-O-acetyl-11alphaH,13-dihydrorudmollin

C17H26O5 (310.1780146)


   
   

(5S)-5-hydroxy-1-(4,5-dihydroxy-3-methoxyphenyl)-decan-3-one|5-hydroxy-[6]-gingerol

(5S)-5-hydroxy-1-(4,5-dihydroxy-3-methoxyphenyl)-decan-3-one|5-hydroxy-[6]-gingerol

C17H26O5 (310.1780146)


   

4,5-dimethoxy-2,7-cyclolign-7-en-4-ol|pycnanthulignene A

4,5-dimethoxy-2,7-cyclolign-7-en-4-ol|pycnanthulignene A

C20H22O3 (310.15688620000003)


   

Me glycoside-alpha-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose|My glycoside-beta-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose

Me glycoside-alpha-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose|My glycoside-beta-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose

C12H22O9 (310.1263762)


   

10-oxodihydrobotrydial

10-oxodihydrobotrydial

C17H26O5 (310.1780146)


   

8beta-acetoxy-5alpha-hydroxyhumul-1(10)Z-en-4alpha,14-olide

8beta-acetoxy-5alpha-hydroxyhumul-1(10)Z-en-4alpha,14-olide

C17H26O5 (310.1780146)


   

4-hydroxy-7,8-(2,2-dimethylpyran)flavan

4-hydroxy-7,8-(2,2-dimethylpyran)flavan

C20H22O3 (310.15688620000003)


   

Digilanidobiose|O4-beta-D-glucopyranosyl-D-ribo-2,6-dideoxy-hexose|O4-beta-D-Glucopyranosyl-D-ribo-2,6-didesoxy-hexose

Digilanidobiose|O4-beta-D-glucopyranosyl-D-ribo-2,6-dideoxy-hexose|O4-beta-D-Glucopyranosyl-D-ribo-2,6-didesoxy-hexose

C12H22O9 (310.1263762)


   
   

6alpha,8beta-dimethoxy-10beta-hydroxyeremophilenolide

6alpha,8beta-dimethoxy-10beta-hydroxyeremophilenolide

C17H26O5 (310.1780146)


   
   
   
   

Dimethylhymenoxon

Dimethylhymenoxon

C17H26O5 (310.1780146)


   
   

1beta-acetoxy-11,12-epoxy-6-drimen-8alpha,11alpha-diol|1beta-acetoxy-11,12-epoxy-6-drimene-8alpha,11alpha-diol|1??-Acetoxy-11,12-epoxy-6-drimen-8??,11??-diol

1beta-acetoxy-11,12-epoxy-6-drimen-8alpha,11alpha-diol|1beta-acetoxy-11,12-epoxy-6-drimene-8alpha,11alpha-diol|1??-Acetoxy-11,12-epoxy-6-drimen-8??,11??-diol

C17H26O5 (310.1780146)


   

dihydro-beta-cyclopyretrosin

dihydro-beta-cyclopyretrosin

C17H26O5 (310.1780146)


   

N-(1-hydroxy-5-oxocyclopent-1-enyl)-7-(3-aminophenyl)hepta-2,4,6-trienamide

N-(1-hydroxy-5-oxocyclopent-1-enyl)-7-(3-aminophenyl)hepta-2,4,6-trienamide

C18H18N2O3 (310.1317358)


   

8,9-dihydroxy-10-acetoxythymolisobutyrate

8,9-dihydroxy-10-acetoxythymolisobutyrate

C16H22O6 (310.1416312)


   
   

(R)-(3E,5E,7E,9E,11E)-3,11-dimethyl-12-(2,4-dimethyl-3-oxocyclopent-1-enyl)dodeca-3,5,7,9,11-pentaen-2-one|falconensone A

(R)-(3E,5E,7E,9E,11E)-3,11-dimethyl-12-(2,4-dimethyl-3-oxocyclopent-1-enyl)dodeca-3,5,7,9,11-pentaen-2-one|falconensone A

C21H26O2 (310.1932696)


   

4-(3-hydroxybutanoyl)-2-[(1E,3E)-5-hydroxyhexa-1,3-dien-1-yl]-5-methoxy-2-methylfuran-3(2H)-one|penicilliol B

4-(3-hydroxybutanoyl)-2-[(1E,3E)-5-hydroxyhexa-1,3-dien-1-yl]-5-methoxy-2-methylfuran-3(2H)-one|penicilliol B

C16H22O6 (310.1416312)


   

4-O-acetyl-11alphaH,13-dihydrorudmollin

4-O-acetyl-11alphaH,13-dihydrorudmollin

C17H26O5 (310.1780146)


   

15-acetoxy-9-hydroxy presilphiperfolan-4-oic acid

15-acetoxy-9-hydroxy presilphiperfolan-4-oic acid

C17H26O5 (310.1780146)


   

Sinapine

Sinapoylcholine

[C16H24NO5]+ (310.16543939999997)


Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2601; CONFIDENCE confident structure Sinapine is an alkaloid isolated from seeds of the cruciferous species. Sinapine exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4]. Sinapine is an alkaloid isolated from seeds of the cruciferous species. Sinapine exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4].

   

Gestodene

Gestodene

C21H26O2 (310.1932696)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents

   

bifonazole

bifonazole

C22H18N2 (310.14699079999997)


D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent

   

Avobenzone

Avobenzone (Parsol 1789)

C20H22O3 (310.15688620000003)


D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents C1892 - Chemopreventive Agent > C851 - Sunscreen D003879 - Dermatologic Agents D003358 - Cosmetics

   

Mestranol

Mestranol

C21H26O2 (310.1932696)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents

   

Altrenogest

Altrenogest

C21H26O2 (310.1932696)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins

   

Desloratadine

Descarboethoxyloratadine

C19H19ClN2 (310.1236684)


Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist CONFIDENCE standard compound; INTERNAL_ID 2704 CONFIDENCE standard compound; INTERNAL_ID 8597 Desloratadine (Sch34117) is the orally active major metabolite of the nonsedating H1-antihistamine Loratadine. Desloratadine is a selective H1-receptor antagonist that has anti-allergic and anti-inflammatory activities[1][2]. Desloratadine (Sch34117) is the orally active major metabolite of the nonsedating H1-antihistamine Loratadine. Desloratadine is a selective H1-receptor antagonist that has anti-allergic and anti-inflammatory activities[1][2].

   
   

(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one

NCGC00384646-01!(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one

C20H22O3 (310.15688620000003)


   

(2-hydroxy-3,6-diphenylcyclohexyl) acetate

NCGC00380099-02!(2-hydroxy-3,6-diphenylcyclohexyl) acetate

C20H22O3 (310.15688620000003)


   

(2-hydroxy-3,6-diphenylcyclohexyl) acetate

NCGC00380099-01!(2-hydroxy-3,6-diphenylcyclohexyl) acetate

C20H22O3 (310.15688620000003)


   

Bifonazol

bifonazole

C22H18N2 (310.14699079999997)


D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 2510 CONFIDENCE standard compound; INTERNAL_ID 8491

   

Gestoden

Gestodene

C21H26O2 (310.1932696)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents CONFIDENCE standard compound; INTERNAL_ID 2807 CONFIDENCE standard compound; INTERNAL_ID 8740

   

C12-AE1S (TENTATIVE)

C12-AE1S (TENTATIVE)

C14H30O5S (310.18138500000003)


TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from WIN_N: mz309_17_rt20_01_HCD60_C12-AE1S; CONFIDENCE Tentative identification: best match only (Level 3)

   
   

(2-hydroxy-3,6-diphenylcyclohexyl) acetate

(2-hydroxy-3,6-diphenylcyclohexyl) acetate

C20H22O3 (310.15688620000003)


   
   

cannabinol

6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl- (7CI,8CI,9CI)

C21H26O2 (310.1932696)


C308 - Immunotherapeutic Agent > C574 - Immunosuppressant

   

Wieland-Gumlich aldehyde

Wieland-Gumlich aldehyde

C19H22N2O2 (310.1681192)


   
   

Michepressine

Michepressine

[C19H20NO3]+ (310.144311)


Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids

   

(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based on: CCMSLIB00000846008]

NCGC00384646-01!(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based on: CCMSLIB00000846008]

C20H22O3 (310.15688620000003)


   

(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based: Match]

NCGC00384646-01!(4R)-4-ethenyl-4,10-dimethyl-2-(2-methylprop-1-enyl)-2,3-dihydropyrano[3,2-c]chromen-5-one [IIN-based: Match]

C20H22O3 (310.15688620000003)


   
   
   

2-Hydroxytrimipramine

2-Hydroxytrimipramine

C20H26N2O (310.2045026)


   

methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate

methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate

C17H26O5 (310.1780146)


   

3-O-Benzyl-4,5-O-(1-methylethyldiene)-b-D-fructopyranose

3-O-Benzyl-4,5-O-(1-methylethyldiene)-b-D-fructopyranose

C16H22O6 (310.1416312)


   

2,3-Dehydrosalvipisone

3-hydroxy-6-methyl-5-[(2Z)-4-methylpenta-2,4-dien-1-yl]-2-(propan-2-yl)-1,4-dihydronaphthalene-1,4-dione

C20H22O3 (310.15688620000003)


   

3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide

6-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one

C17H26O5 (310.1780146)


   

Valdiate

4-[(acetyloxy)methyl]-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoate

C17H26O5 (310.1780146)


   
   
   

tetranor-PGDM lactone

tetranor-PGDM lactone

C16H22O6 (310.1416312)


   

2-Hydroxy-3,6-diphenylcyclohexyl acetate

2-Hydroxy-3,6-diphenylcyclohexyl acetate

C20H22O3 (310.15688620000003)


   

FA 17:4;O3

methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate

C17H26O5 (310.1780146)


   

4,4,5,5-tetramethyl-2-[2-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[2-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane

C19H23BO3 (310.1740158)


   

2-(4-BOC-PIPERAZIN-1-YL)-2-(FURAN-2-YL)&

2-(4-BOC-PIPERAZIN-1-YL)-2-(FURAN-2-YL)&

C15H22N2O5 (310.1528642)


   
   

(E)-but-2-enedioic acid,2-methyloxirane,oxirane,propane-1,2,3-triol

(E)-but-2-enedioic acid,2-methyloxirane,oxirane,propane-1,2,3-triol

C12H22O9 (310.1263762)


   

6,6,12,12-tetramethyl-6,12-dihydroindeno[1,2-b]fluorene

6,6,12,12-tetramethyl-6,12-dihydroindeno[1,2-b]fluorene

C24H22 (310.1721412)


   

(S)-N-((1S,2S)-2-HYDROXY-1,2-DIPHENYLETHYL)PYRROLIDINE-2-CARBOXAMIDE

(S)-N-((1S,2S)-2-HYDROXY-1,2-DIPHENYLETHYL)PYRROLIDINE-2-CARBOXAMIDE

C19H22N2O2 (310.1681192)


   

1,4-BIS(1H-BENZO[D]IMIDAZOL-2-YL)BENZENE

1,4-BIS(1H-BENZO[D]IMIDAZOL-2-YL)BENZENE

C20H14N4 (310.1218404)


   

5-(Benzyloxy)tryptophan

5-(Benzyloxy)tryptophan

C18H18N2O3 (310.1317358)


   

Cetamolol

Cetamolol

C16H26N2O4 (310.1892476)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist

   
   

(8α,9S)-10,11-Dihydro-3,9-epoxycinchonan-6-ol

(8α,9S)-10,11-Dihydro-3,9-epoxycinchonan-6-ol

C19H22N2O2 (310.1681192)


   

1,4-Dibenzylpiperazine-2-carboxylic Acid

1,4-Dibenzylpiperazine-2-carboxylic Acid

C19H22N2O2 (310.1681192)


   

1-[2-(Benzhydryloxy)ethyl]-1,4-diazepane

1-[2-(Benzhydryloxy)ethyl]-1,4-diazepane

C20H26N2O (310.2045026)


   

Desmethylescitalopram

(S)-Desmethylcitalopram

C19H19FN2O (310.1481336)


   

Hexaethylene glycol dimethyl ether

Hexaethylene glycol dimethyl ether

C14H30O7 (310.199143)


   

Diethoxyethyl phthalate

1,2-Benzenedicarboxylicacid, 1,2-bis(2-ethoxyethyl) ester

C16H22O6 (310.1416312)


   

TERT-BUTYL 4-(5-FORMYL-4-METHYLTHIAZOL-2-YL)PIPERIDINE-1-CARBOXYLATE

TERT-BUTYL 4-(5-FORMYL-4-METHYLTHIAZOL-2-YL)PIPERIDINE-1-CARBOXYLATE

C15H22N2O3S (310.1351062)


   

(R)-2-[3-(3-METHOXYPROPOXY)-4-METHOXYBENZYL]-3-METHYL-BUTYRICACID

(R)-2-[3-(3-METHOXYPROPOXY)-4-METHOXYBENZYL]-3-METHYL-BUTYRICACID

C17H26O5 (310.1780146)


   
   

1-(anthracen-9-ylmethyl)-3-methyl-1,2-dihydroimidazol-1-ium,chloride

1-(anthracen-9-ylmethyl)-3-methyl-1,2-dihydroimidazol-1-ium,chloride

C19H19ClN2 (310.1236684)


   

N-BOC-D-Arginine hydrochloride

N-BOC-D-Arginine hydrochloride

C11H23ClN4O4 (310.1407748)


   
   

cyclohexanamine,methyl dihydrogen phosphate

cyclohexanamine,methyl dihydrogen phosphate

C13H31N2O4P (310.2021336)


   

magnesium isooctanoate

magnesium isooctanoate

C16H30MgO4 (310.199448)


   

POLYHYDROXYSTEARIC ACID

POLYHYDROXYSTEARIC ACID

C18H18N2O3 (310.1317358)


   

Plomestane

Plomestane

C21H26O2 (310.1932696)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents

   

4-Acetylbenzo-15-crown 5-Ether

4-Acetylbenzo-15-crown 5-Ether

C16H22O6 (310.1416312)


   

Tryptophan,5-(phenylmethoxy)-

Tryptophan,5-(phenylmethoxy)-

C18H18N2O3 (310.1317358)


   

tert-butyl-[[1-(6-fluoropyridin-2-yl)pyrrolidin-3-yl]methoxy]-dimethylsilane

tert-butyl-[[1-(6-fluoropyridin-2-yl)pyrrolidin-3-yl]methoxy]-dimethylsilane

C16H27FN2OSi (310.1876584)


   

(4-NITRO-[1,1-BIPHENYL]-4-YL)(PIPERIDIN-1-YL)METHANONE

(4-NITRO-[1,1-BIPHENYL]-4-YL)(PIPERIDIN-1-YL)METHANONE

C18H18N2O3 (310.1317358)


   

(3-NITRO-[1,1-BIPHENYL]-4-YL)(PIPERIDIN-1-YL)METHANONE

(3-NITRO-[1,1-BIPHENYL]-4-YL)(PIPERIDIN-1-YL)METHANONE

C18H18N2O3 (310.1317358)


   

3-CYCLOPENTYL-2-(4-METHANESULFONYL-PHENYL)-PROPIONIC ACID METHYL ESTER

3-CYCLOPENTYL-2-(4-METHANESULFONYL-PHENYL)-PROPIONIC ACID METHYL ESTER

C16H22O4S (310.12387320000005)


   
   

N-(2,6-DIMETHYLPHENYL)-1-PROPYLPIPERIDINE-2-CARBOXAMIDE HYDROCHLORIDE

N-(2,6-DIMETHYLPHENYL)-1-PROPYLPIPERIDINE-2-CARBOXAMIDE HYDROCHLORIDE

C17H27ClN2O (310.1811802)


   

3-pyridylamine, n-(1-methylethyl)-2-(1-piperazinyl)-,dihydrochloride monohydrate

3-pyridylamine, n-(1-methylethyl)-2-(1-piperazinyl)-,dihydrochloride monohydrate

C12H24Cl2N4O (310.13270739999996)


   

1-Benzyl-4-phenylamino-4-(methoxymethyl)piperidine

1-Benzyl-4-phenylamino-4-(methoxymethyl)piperidine

C20H26N2O (310.2045026)


   

1,2-Benzenedicarboperoxoicacid, 1,2-bis(1,1-dimethylethyl) ester

1,2-Benzenedicarboperoxoicacid, 1,2-bis(1,1-dimethylethyl) ester

C16H22O6 (310.1416312)


   
   

6-(Benzylamino)pyridine-3-boronic acid pinacol ester

6-(Benzylamino)pyridine-3-boronic acid pinacol ester

C18H23BN2O2 (310.1852488)


   

ethyl 6-n-boc-d-lysinate hcl

ethyl 6-n-boc-d-lysinate hcl

C13H27ClN2O4 (310.1659252)


   
   

5-N-BENZYL-AMINO-PYRIDIN-3-YLBORONIC ACID PINACOL ESTER

5-N-BENZYL-AMINO-PYRIDIN-3-YLBORONIC ACID PINACOL ESTER

C18H23BN2O2 (310.1852488)


   
   
   

3-O-BENZYL-1,2-O-ISOPROPYLIDENE-α-D-GLUCOFURANOSE

3-O-BENZYL-1,2-O-ISOPROPYLIDENE-α-D-GLUCOFURANOSE

C16H22O6 (310.1416312)


   

PHE-MET-OME HYDROCHLORIDE

PHE-MET-OME HYDROCHLORIDE

C15H22N2O3S (310.1351062)


   
   

Efonidipine Hydrochloride

Efonidipine Hydrochloride

C19H22N2O2 (310.1681192)


   
   

3-(6-methoxynaphthalen-2-yl)-3,9-diazaspiro[5.5]undecane

3-(6-methoxynaphthalen-2-yl)-3,9-diazaspiro[5.5]undecane

C20H26N2O (310.2045026)


   

[2-(2,4-dimethoxy-phenyl)-2-hydroxyimino-ethyl]-carbamic acid tert-butyl ester

[2-(2,4-dimethoxy-phenyl)-2-hydroxyimino-ethyl]-carbamic acid tert-butyl ester

C15H22N2O5 (310.1528642)


   

AC 55649

4-(4-Octylphenyl)benzoic acid

C21H26O2 (310.1932696)


   

Tryptophan, 7-(phenylmethoxy)-

Tryptophan, 7-(phenylmethoxy)-

C18H18N2O3 (310.1317358)


   

3-(2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE

3-(2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE

C20H14N4 (310.1218404)


   
   

1,2-o-isopropylidene-3-benzyloxy-d-allofuranose

1,2-o-isopropylidene-3-benzyloxy-d-allofuranose

C16H22O6 (310.1416312)


   
   

1-(Trimethylsiloxy)-2-methoxy-4-(1-trimethylsiloxyethenyl)-benzene

1-(Trimethylsiloxy)-2-methoxy-4-(1-trimethylsiloxyethenyl)-benzene

C15H26O3Si2 (310.1420406)


   

[2-(3,4-dimethoxy-phenyl)-2-hydroxyimino-ethyl]-carbamic acid tert-butyl ester

[2-(3,4-dimethoxy-phenyl)-2-hydroxyimino-ethyl]-carbamic acid tert-butyl ester

C15H22N2O5 (310.1528642)


   

tert-butyl 3-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxylate

tert-butyl 3-phenyl-3,4-dihydro-2H-quinoxaline-1-carboxylate

C19H22N2O2 (310.1681192)


   

Alloclamide

Alloclamide

C16H23ClN2O2 (310.1447968)


C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent

   

6,7,15,16-Dimethylene-4-ene-3,17-androstenedione

6,7,15,16-Dimethylene-4-ene-3,17-androstenedione

C21H26O2 (310.1932696)


   
   

2-(3-CHLORO-5-ISOBUTOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

2-(3-CHLORO-5-ISOBUTOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

C16H24BClO3 (310.1506934)


   

2-(3-BUTOXY-5-CHLOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

2-(3-BUTOXY-5-CHLOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

C16H24BClO3 (310.1506934)


   

1H-Pyrrolo[2,3-b]pyridine, 4,5-difluoro-1-[tris(1-methylethyl)silyl]-

1H-Pyrrolo[2,3-b]pyridine, 4,5-difluoro-1-[tris(1-methylethyl)silyl]-

C16H24F2N2Si (310.1676728)


   

N-Benzyl-1-[6-(2,4-difluorophenyl)-2-pyridyl]MethanaMine

N-Benzyl-1-[6-(2,4-difluorophenyl)-2-pyridyl]MethanaMine

C19H16F2N2 (310.12814799999995)


   

2-(2-(BENZYLOXY)-5-(TERT-BUTYL)PHENYL)-2-METHYLPROPANAL

2-(2-(BENZYLOXY)-5-(TERT-BUTYL)PHENYL)-2-METHYLPROPANAL

C21H26O2 (310.1932696)


   

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine,hydrochloride

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine,hydrochloride

C17H27ClN2O (310.1811802)


   
   

8-BENZYLOXY-2-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER

8-BENZYLOXY-2-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER

C18H18N2O3 (310.1317358)


   

1-benzyl-4-anilinopiperidine-4-carboxylic acid

1-benzyl-4-anilinopiperidine-4-carboxylic acid

C19H22N2O2 (310.1681192)


   

10-[(1,3-dimethylpyrrolidin-3-yl)methyl]phenothiazine

10-[(1,3-dimethylpyrrolidin-3-yl)methyl]phenothiazine

C19H22N2S (310.1503612)


   

(R)-Ethyl 2-amino-6-((tert-butoxycarbonyl)amino)hexanoate hydrochloride

(R)-Ethyl 2-amino-6-((tert-butoxycarbonyl)amino)hexanoate hydrochloride

C13H27ClN2O4 (310.1659252)


   
   

Modified fertilizer additive AS

Modified fertilizer additive AS

C15H31ClO2S (310.1733176)


   

(1,4-dibenzyl-1,4-diazepan-6-yl)methanol

(1,4-dibenzyl-1,4-diazepan-6-yl)methanol

C20H26N2O (310.2045026)


   

4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylaniline

4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylaniline

C18H18N2O3 (310.1317358)


   

1,3-Bis(1H-benzo[d]imidazol-2-yl)benzene

1,3-Bis(1H-benzo[d]imidazol-2-yl)benzene

C20H14N4 (310.1218404)


   

4-(Hydroxymethyl)-1,2-O-isopropylidene-3-O-benzyl-a-D-erythro-pentofuranose

4-(Hydroxymethyl)-1,2-O-isopropylidene-3-O-benzyl-a-D-erythro-pentofuranose

C16H22O6 (310.1416312)


   

1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID

1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID

C18H18N2O3 (310.1317358)


   

2-Benzyloxyphenylboronic acid pinacol ester

2-Benzyloxyphenylboronic acid pinacol ester

C19H23BO3 (310.1740158)


   

Dimesitylmethyl acetate

Dimesitylmethyl acetate

C21H26O2 (310.1932696)


   

6-[bis(tert-butoxycarbonyl)amino]-4-aminopyrimidine

6-[bis(tert-butoxycarbonyl)amino]-4-aminopyrimidine

C14H22N4O4 (310.1640972)


   

Mepazine

Mepazine

C19H22N2S (310.1503612)


C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist

   

ethyl 3-[2-ethoxy-1-(3-methylphenyl)-2-oxoethyl]sulfanylpropanoate

ethyl 3-[2-ethoxy-1-(3-methylphenyl)-2-oxoethyl]sulfanylpropanoate

C16H22O4S (310.12387320000005)


   
   

(1S,2R,3S,5R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane

(1S,2R,3S,5R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane

C20H22O3 (310.15688620000003)


   

2-(4-BENZYLPIPERAZIN-1-YLMETHYL)BENZOIC ACID

2-(4-BENZYLPIPERAZIN-1-YLMETHYL)BENZOIC ACID

C19H22N2O2 (310.1681192)


   

3-O-Benzyl-4-C-hydroxymethyl-1,2-O-isopropylidene-alpha-D-ribofuranose

3-O-Benzyl-4-C-hydroxymethyl-1,2-O-isopropylidene-alpha-D-ribofuranose

C16H22O6 (310.1416312)


   

[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl chloride

[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl chloride

C18H27ClO2 (310.16994719999997)


   

Orantinib

2,4-DIMETHYL-5-[(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL]-PYRROLE-3-PROPANOIC ACID

C18H18N2O3 (310.1317358)


C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors

   

1,1-bis(4-hydroxyphenyl)-3,3,5-trimethylcyclohexane

1,1-bis(4-hydroxyphenyl)-3,3,5-trimethylcyclohexane

C21H26O2 (310.1932696)


   

1,2-O-ISOPROPYLIDENE-3-BENZYLOXY-D-GLUCOFURANOSE

1,2-O-ISOPROPYLIDENE-3-BENZYLOXY-D-GLUCOFURANOSE

C16H22O6 (310.1416312)


   
   

Trepibutone

Trepibutone

C16H22O6 (310.1416312)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent

   

ethyl 3-(2-ethoxy-2-oxo-1-o-tolylethylthio)propanoate

ethyl 3-(2-ethoxy-2-oxo-1-o-tolylethylthio)propanoate

C16H22O4S (310.12387320000005)


   

ethyl 3-(2-ethoxy-2-oxo-1-p-tolylethylthio)propanoate

ethyl 3-(2-ethoxy-2-oxo-1-p-tolylethylthio)propanoate

C16H22O4S (310.12387320000005)


   

2-phenylbutanoyl 2-phenylbutanoate

2-phenylbutanoyl 2-phenylbutanoate

C20H22O3 (310.15688620000003)


   

(2S,4R)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide

C19H22N2O2 (310.1681192)


   

9-(BENZYLOXY)-3-(2-HYDROXYETHYL)-2-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE

9-(BENZYLOXY)-3-(2-HYDROXYETHYL)-2-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE

C18H18N2O3 (310.1317358)


   

(3-acetylphenyl) 2-[4-(2-methylpropyl)phenyl]acetate

(3-acetylphenyl) 2-[4-(2-methylpropyl)phenyl]acetate

C20H22O3 (310.15688620000003)


   

1-Butyl-3-methyl-imidazolium-tosylate

1-Butyl-3-methyl-imidazolium-tosylate

C15H22N2O3S (310.1351062)


   

Ropivacaine hydrochloride

Ropivacaine hydrochloride

C17H27ClN2O (310.1811802)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents

   
   

2-(3-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H23BO3 (310.1740158)


   

9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate

9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate

C19H22N2O2 (310.1681192)


   

Phosphoric acidmono-N-dodecyl estersodium salt

Phosphoric acidmono-N-dodecyl estersodium salt

C12H25Na2O4P (310.12857800000006)


   

Talabostat mesylate

Talabostat mesylate

C10H23BN2O6S (310.13698080000006)


C471 - Enzyme Inhibitor > C783 - Protease Inhibitor

   

4,4,5,5-tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane

C19H23BO3 (310.1740158)


   

1,4-Bis(4-methylstyryl)benzene

1,4-Bis(4-methylstyryl)benzene

C24H22 (310.1721412)


   

2,2-Dichlorotetradecanoic acid

2,2-Dichlorotetradecanoic acid

C15H28Cl2O2 (310.1466248)


   

benzyl 2-benzylpiperazine-1-carboxylate

benzyl 2-benzylpiperazine-1-carboxylate

C19H22N2O2 (310.1681192)


   

2-(4-(ISOPROPYLSULFONYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

2-(4-(ISOPROPYLSULFONYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

C15H23BO4S (310.1410028)


   

N,N-Di-Boc-1H-pyrazole-1-carboxamidine

N,N-Di-Boc-1H-pyrazole-1-carboxamidine

C14H22N4O4 (310.1640972)


   

Praseodymium (III) 2,4-pentanedionate

Praseodymium (III) 2,4-pentanedionate

C16H22O6 (310.1416312)


   

4-Pentylphenyl 4-propylbenzoate

4-Pentylphenyl 4-propylbenzoate

C21H26O2 (310.1932696)


   

3-(4-phenyl-2-pyridyl)-5-phenyl-1,2,4-triazine

3-(4-phenyl-2-pyridyl)-5-phenyl-1,2,4-triazine

C20H14N4 (310.1218404)


   

Dimethyl 1,1-azobis(cyclohexanecarboxylate)

Dimethyl 1,1-azobis(cyclohexanecarboxylate)

C16H26N2O4 (310.1892476)


   

10-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

10-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

C19H19ClN2 (310.1236684)


   

7-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

7-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

C19H19ClN2 (310.1236684)


   

2-(4-Methoxy-4-biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-Methoxy-4-biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H23BO3 (310.1740158)


   

beta-(4,4-Difluoro-1-piperidinyl)-2-(trifluoromethyl)-5-pyrimidineethanamine

beta-(4,4-Difluoro-1-piperidinyl)-2-(trifluoromethyl)-5-pyrimidineethanamine

C12H15F5N4 (310.12168099999997)


   

4-((4-BENZYLPIPERAZIN-1-YL)METHYL)BENZOIC ACID

4-((4-BENZYLPIPERAZIN-1-YL)METHYL)BENZOIC ACID

C19H22N2O2 (310.1681192)


   

Magnesium valproate

Magnesium valproate

C16H30MgO4 (310.199448)


   

(3-BOC-AMINO-PIPERIDIN-1-YL)-FURAN-2-YL-ACETICACID

(3-BOC-AMINO-PIPERIDIN-1-YL)-FURAN-2-YL-ACETICACID

C15H22N2O5 (310.1528642)


   

2,8-Diazaspiro[4.5]decan-1-one, 2-[(4-methoxyphenyl)methyl]-, hydrochloride (1:1)

2,8-Diazaspiro[4.5]decan-1-one, 2-[(4-methoxyphenyl)methyl]-, hydrochloride (1:1)

C16H23ClN2O2 (310.1447968)


   

6-(4-Methylpiperazin-1-yl)-4-(2-methylphenyl)nicotinamide

6-(4-Methylpiperazin-1-yl)-4-(2-methylphenyl)nicotinamide

C18H22N4O (310.1793522)


   

1,4-Bis(2-methylstyryl)benzene

1,4-Bis(2-methylstyryl)benzene

C24H22 (310.1721412)


   

Aplindore

Aplindore

C18H18N2O3 (310.1317358)


C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist

   

Delgocitinib

Delgocitinib

C16H18N6O (310.1542018)


C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor

   

(1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one

(1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one

C20H22O3 (310.15688620000003)


   
   

(4E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one

(4E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one

C20H22O3 (310.15688620000003)


   

10-((1-Methyl-4-piperidyl)methyl)phenothiazine

10-((1-Methyl-4-piperidyl)methyl)phenothiazine

C19H22N2S (310.1503612)


   
   

N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide

N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide

C18H18N2O3 (310.1317358)


   
   

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-methylpropanamide

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-methylpropanamide

C17H18N4O2 (310.1429688)


   

5-[(2-Aminoethyl)amino]-6-fluoro-3-(1H-pyrrol-2-YL)benzo[CD]indol-2(1H)-one

5-[(2-Aminoethyl)amino]-6-fluoro-3-(1H-pyrrol-2-YL)benzo[CD]indol-2(1H)-one

C17H15FN4O (310.12298319999996)


   

1,3,4-Trihydroxy-5-(3-phenoxypropyl)-cyclohexane-1-carboxylic A cid

1,3,4-Trihydroxy-5-(3-phenoxypropyl)-cyclohexane-1-carboxylic A cid

C16H22O6 (310.1416312)


   

Trw3-(2-amino-3-hydroxy-propyl)-6-(N-cyclohexyl-hydrazino)octahydro-indol-7-OL

Trw3-(2-amino-3-hydroxy-propyl)-6-(N-cyclohexyl-hydrazino)octahydro-indol-7-OL

C17H18N4O2 (310.1429688)


   

Nafenopin

Nafenopin

C20H22O3 (310.15688620000003)


C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent D009676 - Noxae > D002273 - Carcinogens > D020025 - Peroxisome Proliferators D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites Same as: D05102

   

Lersivirine

Lersivirine

C17H18N4O2 (310.1429688)


C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent

   

yakuchinone b

1-Hepten-3-one, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-, (1E)-

C20H22O3 (310.15688620000003)


   

(17R)-17-Hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

14-hydroxy-15-methyl-14-(prop-2-en-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6,16-trien-5-one

C21H26O2 (310.1932696)


   

2-(3-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine

2-(3-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine

C18H19FN4 (310.1593666)


   
   

cyclo(L-tyrosyl-L-phenylalanyl)

cyclo(L-tyrosyl-L-phenylalanyl)

C18H18N2O3 (310.1317358)


   

13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)

13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)

C21H26O2 (310.1932696)


   

Sarpagine

Sarpagine

C19H22N2O2 (310.1681192)


An indole alkaloid that is sarpagan bearing hydroxy groups at positions 10 and 17.

   

(2S)-5-amino-5-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid

(2S)-5-amino-5-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid

C11H22N2O8 (310.1376092)


   

(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate

(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate

C17H26O5 (310.1780146)


   

2,2-Dideoxy-alpha,alpha-trehalose

2,2-Dideoxy-alpha,alpha-trehalose

C12H22O9 (310.1263762)


   

5-(Aminoiminomethyl)amino-5-deoxyadenosine

5-(Aminoiminomethyl)amino-5-deoxyadenosine

C10H16N9O3+ (310.13760460000003)


   

Magnesium octanoate

Magnesium octanoate

C16H30MgO4 (310.199448)


   

Biolf 143

Biolf 143

C12H18N6O4 (310.13894680000004)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents

   

4-hydroxy-7-methyl-8-[(2Z)-4-methylpenta-2,4-dienyl]-3-propan-2-ylnaphthalene-1,2-dione

4-hydroxy-7-methyl-8-[(2Z)-4-methylpenta-2,4-dienyl]-3-propan-2-ylnaphthalene-1,2-dione

C20H22O3 (310.15688620000003)


   

2-[2-(Dimethylamino)ethoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one

2-[2-(Dimethylamino)ethoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one

C17H18N4O2 (310.1429688)


   

[3-carboxy-2-[(2E,5Z,7E)-deca-2,5,7-trienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(2E,5Z,7E)-deca-2,5,7-trienoyl]oxypropyl]-trimethylazanium

C17H28NO4+ (310.2018228)


   

[3-carboxy-2-[(2E,4E,6E)-deca-2,4,6-trienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(2E,4E,6E)-deca-2,4,6-trienoyl]oxypropyl]-trimethylazanium

C17H28NO4+ (310.2018228)


   

[3-carboxy-2-[(3E,5E,7E)-deca-3,5,7-trienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(3E,5E,7E)-deca-3,5,7-trienoyl]oxypropyl]-trimethylazanium

C17H28NO4+ (310.2018228)


   

[3-carboxy-2-[(2E,6E,8E)-deca-2,6,8-trienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(2E,6E,8E)-deca-2,6,8-trienoyl]oxypropyl]-trimethylazanium

C17H28NO4+ (310.2018228)


   

[3-carboxy-2-[(2E,4E,7E)-deca-2,4,7-trienoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(2E,4E,7E)-deca-2,4,7-trienoyl]oxypropyl]-trimethylazanium

C17H28NO4+ (310.2018228)


   

(2S)-2-[(2,6-dimethylphenyl)carbamoyl]-1-propylpiperidinium chloride

(2S)-2-[(2,6-dimethylphenyl)carbamoyl]-1-propylpiperidinium chloride

C17H27ClN2O (310.1811802)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents

   

Minfiensine-N(4)-Oxide

Minfiensine-N(4)-Oxide

C19H22N2O2 (310.1681192)


A natural product found in Gardneria ovata.

   

5,6-Diphenyl-3-pyridin-4-yl-1,2,4-triazine

5,6-Diphenyl-3-pyridin-4-yl-1,2,4-triazine

C20H14N4 (310.1218404)


   

Fusarentin 6,7-dimethyl ether

Fusarentin 6,7-dimethyl ether

C16H22O6 (310.1416312)


A natural product found in Colletotrichum species.

   

1-(2-Methoxy-5-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-(2-Methoxy-5-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C19H22N2O2 (310.1681192)


   

N-(2-Nitrobenzylidene)-4-phenyl-1-piperazinamine

N-(2-Nitrobenzylidene)-4-phenyl-1-piperazinamine

C17H18N4O2 (310.1429688)


   

2-O-(alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranose

2-O-(alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranose

C12H22O9 (310.1263762)


   

6-Amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-Amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C17H18N4O2 (310.1429688)


   

2-(2-oxo-1-benzo[cd]indolyl)-N-(2-oxolanylmethyl)acetamide

2-(2-oxo-1-benzo[cd]indolyl)-N-(2-oxolanylmethyl)acetamide

C18H18N2O3 (310.1317358)


   

N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide

N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide

C18H22N4O (310.1793522)


   

Leuconoxine

Leuconoxine

C19H22N2O2 (310.1681192)


A natural product found in Alstonia spatulata.

   
   
   

3-methyl-N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamide

3-methyl-N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamide

C18H22N4O (310.1793522)


   

3-O-(alpha-D-rhamnopyranosyl)-alpha-D-rhamnopyranose

3-O-(alpha-D-rhamnopyranosyl)-alpha-D-rhamnopyranose

C12H22O9 (310.1263762)


   

N-[2-(4-methoxyphenyl)-5-benzotriazolyl]butanamide

N-[2-(4-methoxyphenyl)-5-benzotriazolyl]butanamide

C17H18N4O2 (310.1429688)


   

4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol

4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol

C18H18N2O3 (310.1317358)


   

2-(4-morpholinyl)-N-(2-phenylphenyl)propanamide

2-(4-morpholinyl)-N-(2-phenylphenyl)propanamide

C19H22N2O2 (310.1681192)


   

4-[4-(Phenylmethyl)-1-piperazinyl]thieno[2,3-d]pyrimidine

4-[4-(Phenylmethyl)-1-piperazinyl]thieno[2,3-d]pyrimidine

C17H18N4S (310.12521080000005)


   

3-[(4-Methyl-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide

3-[(4-Methyl-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide

C17H18N4O2 (310.1429688)


   

(3s)-3-(4-Methoxybenzyl)-4-Methyl-3,4-Dihydro-1h-1,4-Benzodiazepine-2,5-Dione

(3s)-3-(4-Methoxybenzyl)-4-Methyl-3,4-Dihydro-1h-1,4-Benzodiazepine-2,5-Dione

C18H18N2O3 (310.1317358)


   

(13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

(13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

C21H26O2 (310.1932696)


   

N-cyclopentyl-3-[(4-methylphenyl)sulfonylamino]propanamide

N-cyclopentyl-3-[(4-methylphenyl)sulfonylamino]propanamide

C15H22N2O3S (310.1351062)


   

N-ethyl-N-(3-methylphenyl)-N-(7H-purin-6-yl)propane-1,3-diamine

N-ethyl-N-(3-methylphenyl)-N-(7H-purin-6-yl)propane-1,3-diamine

C17H22N6 (310.1905852)


   

3-O-alpha-abequopyranosyl-alpha-D-mannopyranose

3-O-alpha-abequopyranosyl-alpha-D-mannopyranose

C12H22O9 (310.1263762)


   

3-O-alpha-paratopyranosyl-alpha-D-mannopyranose

3-O-alpha-paratopyranosyl-alpha-D-mannopyranose

C12H22O9 (310.1263762)


   

3-O-alpha-tyvelopyranosyl-beta-D-mannopyranose

3-O-alpha-tyvelopyranosyl-beta-D-mannopyranose

C12H22O9 (310.1263762)


   

3-O-alpha-tyvelopyranosyl-alpha-D-mannopyranose

3-O-alpha-tyvelopyranosyl-alpha-D-mannopyranose

C12H22O9 (310.1263762)


   

7-Methyl-3-methyleneoctyl 4-methylbenzenesulfonate

7-Methyl-3-methyleneoctyl 4-methylbenzenesulfonate

C17H26O3S (310.1602566)


   

N-(diphenylmethyl)-2-(3-methylbutylamino)acetamide

N-(diphenylmethyl)-2-(3-methylbutylamino)acetamide

C20H26N2O (310.2045026)


   

1-([2,2-Bipyridin]-5-ylmethyl)-3-cyclohexylurea

1-([2,2-Bipyridin]-5-ylmethyl)-3-cyclohexylurea

C18H22N4O (310.1793522)


   

3-(1-Benzylindazol-3-yl)oxypropyl-dimethylazanium

3-(1-Benzylindazol-3-yl)oxypropyl-dimethylazanium

C19H24N3O+ (310.1919274)


   

5-[(Carbamimidoylthio)methyl]-2-(3-methylbutoxy)benzoic acid methyl ester

5-[(Carbamimidoylthio)methyl]-2-(3-methylbutoxy)benzoic acid methyl ester

C15H22N2O3S (310.1351062)


   

3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-N-methyl-1-propanamine

3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-N-methyl-1-propanamine

C19H19FN2O (310.1481336)


   

Allyltrenbolone;RU2267

Allyltrenbolone;RU2267

C21H26O2 (310.1932696)


   

2-O-(alpha-L-rhamnopyranosyl)-L-rhamnopyranose

2-O-(alpha-L-rhamnopyranosyl)-L-rhamnopyranose

C12H22O9 (310.1263762)


   

[(1S,2aS,8bS)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

[(1S,2aS,8bS)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

C19H22N2O2 (310.1681192)


   

N-hydroxy-1-[(4-methoxyphenyl)methyl]-5-methylindole-6-carboxamide

N-hydroxy-1-[(4-methoxyphenyl)methyl]-5-methylindole-6-carboxamide

C18H18N2O3 (310.1317358)


   

[(1S,2aR,8bR)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

[(1S,2aR,8bR)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

C19H22N2O2 (310.1681192)


   

1-[1-[2-[(2S,5R,6R)-5-amino-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-triazolyl]-1-cyclopentanol

1-[1-[2-[(2S,5R,6R)-5-amino-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-triazolyl]-1-cyclopentanol

C15H26N4O3 (310.2004806)


   

[(1R,2aR,8bR)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

[(1R,2aR,8bR)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

C19H22N2O2 (310.1681192)


   

[(1R,2aS,8bS)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

[(1R,2aS,8bS)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

C19H22N2O2 (310.1681192)


   
   
   

N-[(10-methyl-9,10-dihydroacridin-9-yl)carbonyl]-beta-alanine

N-[(10-methyl-9,10-dihydroacridin-9-yl)carbonyl]-beta-alanine

C18H18N2O3 (310.1317358)


   

N-butyl-N(2)-[(R)-2-hydroxy-2-phenylacetyl]-L-cysteinamide

N-butyl-N(2)-[(R)-2-hydroxy-2-phenylacetyl]-L-cysteinamide

C15H22N2O3S (310.1351062)


   

(8R,9S,13S,14R,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

(8R,9S,13S,14R,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

C21H26O2 (310.1932696)


   

1-methyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidinium

1-methyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidinium

C19H20NOS+ (310.12655300000006)


   
   

(2Z,6Z)-2,6-Bis[(1,5-dimethylpyrazol-4-yl)methylidene]cyclohexan-1-one

(2Z,6Z)-2,6-Bis[(1,5-dimethylpyrazol-4-yl)methylidene]cyclohexan-1-one

C18H22N4O (310.1793522)


   

(E)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide

(E)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide

C18H18N2O3 (310.1317358)


   

(1R,15S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene

(1R,15S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene

C20H26N2O (310.2045026)


   

(1R,15S,17S)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene

(1R,15S,17S)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene

C20H26N2O (310.2045026)


   
   

(8R,9R,13S,14S,17S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

(8R,9R,13S,14S,17S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

C21H26O2 (310.1932696)


   

Estra-4,9,11-trien-3-one, 17beta-hydroxy-17-(2-propenyl)-

Estra-4,9,11-trien-3-one, 17beta-hydroxy-17-(2-propenyl)-

C21H26O2 (310.1932696)


   

(8R,9R,10R,13S,14S,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one

(8R,9R,10R,13S,14S,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one

C21H26O2 (310.1932696)


   

5-Acetoxy-3-methoxy-2,6-dimethyl-(6R)-((2R)-2-methylbutyryloxy)-2,3-cyclohexadien-1-one

5-Acetoxy-3-methoxy-2,6-dimethyl-(6R)-((2R)-2-methylbutyryloxy)-2,3-cyclohexadien-1-one

C16H22O6 (310.1416312)


   

5-Acetoxy-3-methoxy-4,6-dimethyl-(6S)-((2R)-2-methylbutyryloxy)-2,4-cyclohexadien-1-one

5-Acetoxy-3-methoxy-4,6-dimethyl-(6S)-((2R)-2-methylbutyryloxy)-2,4-cyclohexadien-1-one

C16H22O6 (310.1416312)


   

(3S,4S)-5-Benzyloxy-3-methoxyethoxymethoxy-4-methylpentan-2-one

(3S,4S)-5-Benzyloxy-3-methoxyethoxymethoxy-4-methylpentan-2-one

C17H26O5 (310.1780146)


   

4-(Pentamethyldisilanyl)phenyl(trimethylsilyl)methanol

4-(Pentamethyldisilanyl)phenyl(trimethylsilyl)methanol

C15H30OSi3 (310.160437)


   

Sinapine

Ethanaminium, 2-(((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-N,N,N-trimethyl-

C16H24NO5+ (310.16543939999997)


Sugar phosphate, also known as sinapoylcholine or sinapine, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Sugar phosphate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Sugar phosphate can be found in a number of food items such as common sage, tea leaf willow, broccoli, and sweet bay, which makes sugar phosphate a potential biomarker for the consumption of these food products. Sugar phosphate exists in all living organisms, ranging from bacteria to humans. Sinapine (CAS: 18696-26-9), also known as sinapoylcholine, belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. Sinapine is an extremely weak basic (essentially neutral) compound (based on its pKa). Sinapine has been detected, but not quantified, in garden cress and horseradish. Sinapine is found in brassicas. It is a storage protein isolated from the seeds of Brassica napus (rape). This could make sinapine a potential biomarker for the consumption of these foods. Sinapine is an acylcholine in which the acyl group specified is sinapoyl. It has a role as a photosynthetic electron-transport chain inhibitor, an antioxidant and a plant metabolite. It is functionally related to a trans-sinapic acid. Sinapine is a natural product found in Alliaria petiolata, Isatis quadrialata, and other organisms with data available. An acylcholine in which the acyl group specified is sinapoyl. Sinapine is an alkaloid isolated from seeds of the cruciferous species. Sinapine exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4]. Sinapine is an alkaloid isolated from seeds of the cruciferous species. Sinapine exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4].

   
   
   

TSU-68 (SU6668, Orantinib)

3-(2,4-Dimethyl-5-(2-oxo-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrol-3-yl)propionic acid

C18H18N2O3 (310.1317358)


D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors

   

7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4E-heptene-3-one

7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4E-heptene-3-one

C20H22O3 (310.15688620000003)


An enone that is 4E-heptene-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 7 and a phenyl group at position 1. Isolated from Alpinia officinarum, it exhibits antineoplastic activity.

   

caracurine VII

caracurine VII

C19H22N2O2 (310.1681192)


A monoterpenoid indole alkaloid with formula C19H22N2O2, isolated from several species of Strychnos.

   

DG(14:3)

DG(4:0_10:3)

C17H26O5 (310.1780146)


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mAChR antagonist 1

mAChR antagonist 1

C19H22N2O2 (310.1681192)


mAChR antagonist 1 (compound 4a) is a mAChR antagonist with Ki values of 255 nM, 121 nM, 158 nM, and 255 nM for M1, M3, M4, and M5 subtype, respectively[1].