Exact Mass: 320.174936
Exact Mass Matches: 320.174936
Found 500 metabolites which its exact mass value is equals to given mass value 320.174936,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Iprovalicarb
C18H28N2O3 (320.20998180000004)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2936 EAWAG_UCHEM_ID 2936; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 482; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9259; ORIGINAL_PRECURSOR_SCAN_NO 9255 CONFIDENCE standard compound; INTERNAL_ID 482; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9307; ORIGINAL_PRECURSOR_SCAN_NO 9306 CONFIDENCE standard compound; INTERNAL_ID 482; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9221; ORIGINAL_PRECURSOR_SCAN_NO 9219 CONFIDENCE standard compound; INTERNAL_ID 482; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9260; ORIGINAL_PRECURSOR_SCAN_NO 9257 CONFIDENCE standard compound; INTERNAL_ID 482; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9324; ORIGINAL_PRECURSOR_SCAN_NO 9321 CONFIDENCE standard compound; INTERNAL_ID 482; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9303; ORIGINAL_PRECURSOR_SCAN_NO 9301
alpha-Zearalenol
Alpha-zearlenol is a nonsteroidal estrogen or mycoestrogen found in fungi belonging to the Fusarium genus including F. graminearum, F. culmorum, F. crookwellense, etc (PMID: 22095651), As a mycotoxin, alpha-zearalenol is a widely distributed compound that contaminates many crops, grains, and other commodities (PMID: 30830360). Alpha-zearalenol, is also a major hepatic metabolite of zearalenone (another mycotoxin). Zearalenone has two metabolites, alpha and beta zearalenol which are produced in the liver by 3α-hydroxisteroid dehydrogenase and 3β-hydroxisteroid dehydrogenase (PMID: 30830360). Like Alpha-zearlenol, zearalenone or F-2 mycotoxin is produced by certain Fusarium species. It causes infertility, abortion and other breeding problems in swine. Alpha-zearlenol is also produced synthetically and sold as Zeranol, which is used as an anabolic agent for cattle. Alpha-zearlenol exhibits strong growth-promoting properties, but its sale is restricted in Europe (PMID: 22095651). Alpha-zearalenol has three to four times the biological activity of zearalenone. Alpha-zearlenol contains a lactone ring in its structure and is structurally analogous to estrogen, thus it can bind to estrogen receptors, and causes hepatotoxic, hematotoxic, immunotoxic, genotoxic, teratogenic and carcinogenic effects on different animal species (PMID: 17045381).
Org 4333
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
NCIOpen2_008298
C19H25FO3 (320.17876320000005)
2-((2E)-3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-1,4-benzenediol
beta-Zearalenol
Beta-zearalenol is a nonsteroidal estrogen or mycoestrogen found in fungi belonging to the Fusarium genus including F. graminearum, F. culmorum, F. crookwellense, etc (PMID: 22095651), As a mycotoxin, beta-zearalenol is a widely distributed compound that contaminates many crops, grains, and other commodities (PMID: 30830360). Beta-zearalenol is the beta epimer of alpha-zearalenol. It is also a major hepatic metabolite of zearalenone (another mycotoxin). Zearalenone has two major metabolites, alpha and beta zearalenol which are produced in the liver by 3α-hydroxisteroid dehydrogenase and 3β-hydroxisteroid dehydrogenase (PMID: 30830360). Beta-zearalenol is formed mainly in the liver but also to a lesser extent in the intestines during first-pass metabolism. It contains a lactone ring in its structure and is structurally analogous to estrogen, thus it can bind to estrogen receptors, and causes hepatotoxic, hematotoxic, immunotoxic, genotoxic, teratogenic and carcinogenic effects on different animal species (PMID: 17045381). However, beta-zearalenol is somewhat less active estrogenically than alpha-zearalenol. β-Zearalenol is a non-steroidal estrogenic mycotoxin synthesized by Fusarium species. β-Zearalenol potentially influences transcription and effects gene expression on translational level[1].
2-[2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-oxoethyl]-4-(2-aminoethylamino)-2-hydroxy-4-oxobutanoic acid
Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene
Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is a benzoate ester and a member of phenols. Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is a natural product found in Ageratina glechonophylla, Arnica montana, and other organisms with data available. Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is found in fats and oils. Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is a constituent of various plant species including Madia sativa (Chile tarweed)
[8]-Gingerdione
[8]-Gingerdione is found in herbs and spices. [8]-Gingerdione is a constituent of Zingiber officinale (ginger). Constituent of Zingiber officinale (ginger). [8]-Gingerdione is found in herbs and spices.
10-Acetylpanaxytriol
10-Acetylpanaxytriol is found in tea. 10-Acetylpanaxytriol is found in ginseng roots. Found in ginseng roots
Oryzalide A
Oryzalide A is found in cereals and cereal products. Oryzalide A is isolated from rice leaves. Isolated from rice leaves. Oryzalide A is found in cereals and cereal products.
Oryzalide B
Oryzalide B is found in cereals and cereal products. Oryzalide B is isolated from rice leaves. Isolated from rice leaves. Oryzalide B is found in cereals and cereal products.
5'-Carboxy-alpha-chromanol
5-carboxy-alpha-tocopherol is a dehydrogenation carboxylate product of 5-hydroxy-a-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. The tocopherols ( a-tocopherol , b-tocopherol ,r-tocopherol and d-tocopherol ) and their corresponding tocotrienols are synthesized by plants and have vitamin E antixoidant activity (see pathway vitamin E biosynthesis ). They differ in the number and location of methyl groups on the chromanol ring. The naturally occurring form of a-tocopherol is (2R,4R,8R)-a-tocopherol (synonym (R,R,R)-a-tocopherol). Synthetic a-tocopherols are a racemic mixture of eight different R and S stereoisomers. Only the 2R forms are recognized as meeting human requirements. The in vivo function of vitamin E is to scavenge peroxyl radicals via its phenolic (chromanol) hydroxyl group, thus protecting lipids against free radical-catalyzed peroxidation. The tocopheryl radical formed can then be reduced by reductants such as L-ascorbate. Other major products of a-tocopherol oxidation include α-tocopherylquinone and epoxy-a-tocopherols. The metabolites a-tocopheronic acid and its lactone, known as the Simon metabolites, are generally believed to be artefacts. In addition to these oxidation products, the other major class of tocopherol metabolites is the carboxyethyl-hydroxychromans.These metabolites are produced in significant amounts in response to excess vitamin E ingestion. Vitamin E is fat-soluble and its utilization requires intestinal fat absorption mechanisms. It is secreted from the intestine into the lymphatic system in chylomicrons which subsequently enter the plasma. Lipolysis of these chylomicrons can result in delivery of vitamin E to tissues, transfer to high-density lipoproteins (and subsequently to other lipoproteins via the phospholipid exchange protein), or retention in chylomicron remnants. These remnants are taken up by the liver. Natural (R,R,R)-α-tocopherol and synthetic 2R-α-tocopherols are then preferentially secreted from the liver into plasma as a result of the specificity of the α-tocopherol transfer protein. This protein, along with the metabolism of excess vitamin E in the liver and excretion into urine and bile, mediate the supply of a-tocopherol in plasma and tissues. 5-carboxy-alpha-tocopherol is a dehydrogenation carboxylate product of 5-hydroxy-a-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
Formylfusarochromanone
Formylfusarochromanone is produced by Fusarium equiseti. Production by Fusarium equiseti
Valproic acid glucuronide
Valproic acid glucuronide is the glucuronidation product of valproic acid. Valproic acid or 2-Propylpentanoic acid, is a chemical compound that has found clinical use as an anticonvulsant and mood-stabilizing drug, primarily in the treatment of epilepsy and bipolar disorder, but also used to treat migraine headaches and schizophrenia. In epileptics, valproic acid is used to control absence seizures, tonic-clonic seizures (grand mal), complex partial seizures, and the seizures associated with Lennox-Gastaut syndrome. Glucuronidation is a vital phase 2 metabolic (conjugative) process by which a wide range of drugs and other xenobiotics may be rendered water-soluble, detoxified and excreted. Acyl (ester) glucuronides (AGs) of carboxylic acids are potentially reactive metabolites. In particular, AGs are important phase 2 metabolites for a wide range of carboxylic acid-containing drugs. (PMID: 18201150, 17496767, 17496206) [HMDB] Valproic acid glucuronide is the glucuronidation product of valproic acid. Valproic acid, or 2-Propylpentanoic acid, is a chemical compound that has found clinical use as an anticonvulsant and mood-stabilizing drug, primarily in the treatment of epilepsy and bipolar disorder, but also used to treat migraine headaches and schizophrenia. In epileptics, valproic acid is used to control absence seizures, tonic-clonic seizures (grand mal), complex partial seizures, and the seizures associated with Lennox-Gastaut syndrome. Glucuronidation is a vital phase 2 metabolic (conjugative) process by which a wide range of drugs and other xenobiotics may be rendered water-soluble, detoxified and excreted. Acyl (ester) glucuronides (AGs) of carboxylic acids are potentially reactive metabolites. In particular, AGs are important phase 2 metabolites for a wide range of carboxylic acid-containing drugs. (PMID: 18201150, 17496767, 17496206).
Octanoylglucuronide
Octanoylglucuronide is a natural human metabolite of Octanoic acid generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Octanoylglucuronide is a natural human metabolite of Octanoic acid generated in the liver by UDP glucuonyltransferase.
11-Meo-fes
C19H25FO3 (320.17876320000005)
2-(4-(Piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
(4S,8R)-8,16,18-Trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
Eterobarb
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Feprazone
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Iprovalicarb
C18H28N2O3 (320.20998180000004)
Lesopitron
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
Arginylphenylalaninamide
C15H24N6O2 (320.19606439999995)
Phenol, 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (E)-
(8R,9S,10R,13S,14S,17S)-2,2,17-Trihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Zearalanone
Zoniporide
C17H16N6O (320.13855259999997)
9-Propanoyl-10-hydroxy-3,11(13)-guaiadien-12,6-olide
(E,E)-(-)-2-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-1,3-butadiene-1,4-diol diacetate
Diester with 4-(1,2-epoxy-1-methylethyl)-3-hydroxybenzyl alc. isobutyric acid
Coralloidin D
(E,E)-2-[2-(2,6,6-Trimethyl-2-cyclohexen-1-yl)ethyl]-1,3-butadiene-1,4-diol diacetate
10beta-Hydroxy-6beta-isobutyryl-furanoeremophilane
Monacolin J
A polyketide that is monacolin L bearing an additional hydroxy substituent at position 8. Monacolin J is an inhibitor of cholesterol biosynthesis, and inhibits the activity of HMG-CoA reductase.
4-(4-Ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
C21H24N2O (320.18885339999997)
n,n,n,n-tetrakis(2-hydroxyethyl)adipamide
CONFIDENCE standard compound; INTERNAL_ID 4064 INTERNAL_ID 4064; CONFIDENCE standard compound
3,9-di(cyclohex-3-en-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
Isobutyric acid 1-[3-methoxy-4-(isobutyryloxy)phenyl]-2-propenyl ester
(3beta,16alpha)-3,16,18-Trihydroxyandrost-5-en-17-one
rel-2R-Methyl-5S-acetoxy-4R-furanogermacr-1(10)Z-en-6-one
4-methoxy-3,5-bis-((E)-3-hydroxy-3-methyl-1-butenyl)benzoate
1-[2-[(3,7-dimethyl-2,6-octadienyl)oxy]-4,6-dihydroxyphenyl]-2-hydroxyethanone
anomalone D|methyl 8-((1S,5R)-4-oxo-5-((E)-4-oxopent-2-enyl)oxocyclopent-2-enyl)octanoate
1-[4-[(3,7-dimethyl-2,6-octadienyl)oxy]-2,6-dihydroxyphenyl]-2-hydroxyethanone
(Z)-13,14-dihydroxy-7-oxo-caryophylla-2(12),5-dien-13-isobutyrate
4-h ydroxy-12-(3 ,4-methylenedioxyphen yl)-2-dodecanone
2-ethylhexanoic acid beta-D-glucuronide|O1-((R)-2-Aethyl-hexanoyl)-beta-D-glucopyranuronsaeure|O1-((R)-2-ethyl-hexanoyl)-beta-D-glucopyranuronic acid
(3E,5E,9E)-8,11-Diacetoxy-3,7,11-trimethyldodeca-1,3,5,9-tetraene
Butanoyl-15-Hydroxy-3,11(13)-eudesmadien-12-oic acid
(5SR,8SR,9SR,10RS,13SR)-3-hydroxy-16-nor-2-oxodolabr-3-en-15-oic acid
13alpha,16alpha,17-trihydroxy-9alpha-methyl-19,20-di-nor-kauran-4-en-15-one|13??,16??,17-Trihydroxy-9??-methyl-19,20-di-nor-kauran-4-en-15-one
(4I<<)-2EC,15I<<-dihydroxy-19-norkaur-16-en-18-oic acid
(1R,2R,3aR,4S,7aS)-3a,4-dimethyl-4-methylene-2-oxodecahydro-2H-spiro[furan-3,2-indene]-1-yl isobutyrate|bakkenolide I|bakkenolide-I
(5R)-5-(4-{(1S,5E)-5-{[(2S,3S)-3-ethyloxiran-2-yl]methylidene}-1-hydroxy-4-oxocyclopent-2-en-1-yl)butyl}dihydrofuran-2(3H)-one
(ent-2alpha,16alpha)-2-Hydroxy-15-oxo-18-nor-19-kauranoic acid
2,3-Dihydro-3-hydroxy-4-phenyl-5,9-dimethoxy-1H-phenalene
methyl ent-15,16-dinorisocopal-12-en-13-ol-19-oate
Me ester-(6E,9Z,11E,13E)-9-Formyl-15-hydroxy-6,9,11,13-heptadecatetraenoic acid
15t-(4-hydroxy-phenyl)-pentadeca-2t,4t,6t,8t,10t,12t,14-heptaenoic acid|15t-(4-Hydroxy-phenyl)-pentadeca-2t,4t,6t,8t,10t,12t,14-heptaensaeure|Cortisalin
methyl 2-(1beta-geranyl-5beta-hydroxy-2-oxocyclohex-3-enyl)acetate|Methyl 2-(1??-geranyl-5??-hydroxy-2-oxocyclohex-3-enyl)acetate
1beta,14,15-trihydroxy-13-methoxy-8,11,13-podocarpatrien-7-one
(1R,1aR,1bS,4R,5R,5aS,6aR)-decahydro-5a-methyl-1-(1-methylethyl)-2-methylidenecyclopropa[a]indene-4,5-diyl diacetate|(1R,2R)-diacetoxycycloax-4(15)ene|(1S,3R,4R,5R,6S,9R,10R)-9,10-diacetoxy-1-methyl-4-(1-methylethyl)-7-methylidenetricyclo[4.4.0.0(3.5)]decane
(10alphaH)-1alpha-hydroxy-6beta-(propanoyloxy)furanoeremophilan-9-one|1alpha-hydroxy-6beta-propionyloxy-10alphaH-9-oxofuranoeremophilane
2-ethyl-10-hydroxy-2,3,4,5,6,7-hexahydro-7-oxobenzoxonin-8-acetic acid ethyl ester|phomopsin A
2alpha,3alpha-dihydroxyandrostan-16-one 2beta,19-hemiketal
Formylfusarochromanone
1beta-hydroxy-6alpha-isobutyryloxy-9-noreremophil-7(11),8(10)-dien-8(12)-olide
Nigerapyrone B
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 4,6-dimethylbiphenyl-2-yl group at position 6. It has been isolated from an endophytic fungus, Aspergillus niger.
6-O-methyl-3-epidiatretol|lepistamide C|rel-(3R,6R)-3,6-dimethoxy-3-(2-methylpropyl)-6-(phenylmethyl)piperazine-2,5-dione
7beta,8alpha,9alpha,-trihydroxy-20-norisopimara-5(10),15-dien-6-one|smardaesidin F
(4S,5R,9S,10R)-methyl 19-hydroxy-15,16-dinorlabda-8(17),11E-dien-13-oxo-18-oate
(1R,2S,3R,4aR,5R,8aR)-5-[2-(furan-3-yl)ethyl]decahydro-1-(hydroxymethyl)-4a-methyl-6-methylidenenaphthalene-2,3-diol|austroeupatol
(5SR,8SR,9SR,10RS,13SR)-18-hydroxy-16-nor-3-oxodolabr-4(18)en-15-oic acid|tagalsin R
(4S,4aR,5S,9aR)-2,4,4a,5,6,7,9,9a-octahydro-9a-methoxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl acetate
(8R)-2-[(2-methylpropanoyl)oxy]eremophil-7(11)-en-12,8-olide
(4S,4aR,5R,6S,9aR)-6-(acetyloxy)-4a,5,6,7,8,9a-hexahydro-4-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|3beta-acetoxy-6beta-methoxyeremophila-7(11),9(10)-dien-12,8beta-olide
(5R)-5-(4-{(1S,5R)-1-hydroxy-4-oxo-5-[(3E)-2-oxopent-3-en-1-yl]cyclopent-2-en-1-yl}butyl)dihydrofuran-2(3H)-one
methyl ent-2,4-seco-15,16-epoxy-4-oxo-3,19-dinorbeyer-15-en-2-oate
2,12-dioxo-A-norclerod-13(16)-en-15-oic acid|pentandranoic acid B
9beta-propionyloxy-1alpha,10beta-epoxyhaageanolide
7-Methoxy-8-(2-ethoxy-3-hydroxy-3-methylbutyl)coumarin
9-Chlor-10-hydroxypalmitinsaeuremethylester
C17H33ClO3 (320.21180979999997)
(+)-(1betaH,7E)-6-beta,11beta-dihydroxynorverticilla-4(18),7-diene-10,12-dione|(1R,4E,6S,11R)-1,6-dihydroxy-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadec-4-ene-2,14-dione|cespihypotin W
4-[(3aS,7S,9aR)-3,3a,5,6,7,8,9,9a-octahydro-7-hydroxy-3a-methyl-8-oxocyclopenta[b]chromen-1-yl]pentanoic acid|TCA A
6beta-isobutyryloxy-9beta-hydroxy-1beta,10beta-epoxyfuroeremophilane
(+)-miliusane X/XI|9beta-hydroxy-1beta-[4-(3,3-dimethyl-1beta,2beta/1alpha,2beta-oxiranyl)-2-methyl-but-1-enyl]-2-oxa-spiro[4.5]dec-7-ene-3,6-dione
4-(O-(beta-D-glucopyranosyl)-(2-hydroxyethyl))-5,5-dimethyldihydrofuran-2(3H)-one|trachelinoside
2,3-Dihydro-2,3-Dihydroxy-5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran|5-acetyl-2-(2-hydroxyisopropyl)-7-(2,3-dihydroxy-3-methyl-n-butyl)-benzofuran
10-Chlor-9-hydoxypalmitinsaeuremethylester
C17H33ClO3 (320.21180979999997)
C18H24O5_Propanoic acid, 2-methyl-, 5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester
[2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoate
3,9-dicyclohex-3-enyl-2,4,8,10-tetraoxaspiro[5.5]undecane
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1070
beta-zearalenol
β-Zearalenol is a non-steroidal estrogenic mycotoxin synthesized by Fusarium species. β-Zearalenol potentially influences transcription and effects gene expression on translational level[1].
Ala Gly Ser Ser
Ala Ser Gly Ser
Ala Ser Ser Gly
Gly Ala Ser Ser
Gly Gly Ser Thr
Gly Gly Thr Ser
Gly Ser Ala Ser
Gly Ser Gly Thr
Gly Ser Ser Ala
Gly Ser Thr Gly
Gly Thr Gly Ser
Gly Thr Ser Gly
Ser Ala Gly Ser
Ser Ala Ser Gly
Ser Gly Ala Ser
Ser Gly Gly Thr
MESTRANOL BICARBONATE
oryzalide A
oryzalide B
bhas#10
An (omega-1)-hydroxy fatty acid ascaroside that is ascr#10 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans as well as the sour paste nematode, Panagrellus redivivus.
bhos#10
An omega-hydroxy fatty acid ascaroside that is oscr#10 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
4-(3-HYDROXY-2-PHENYL-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C18H28N2O3 (320.20998180000004)
Denbufylline
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
1-BOC-5-FLUORO-1,2-DIHYDRO-2-OXO-SPIRO[3H-INDOLE-3,4-PIPERIDINE]
4-BENZYL-1-(TERT-BUTOXYCARBONYL)PIPERAZINE-2-CARBOXYLIC ACID
1-[(TERT-BUTYL)OXYCARBONYL]-3-PYRIDIN-2-YLMETHYLPIPERIDINE-3-CARBOXYLIC ACID
tert-Butyl (2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl)methylcarbamate
C16H24N2O3Si (320.15561139999994)
9,9-Dimethylfluorene-2-boronic acid pinacol ester
C21H25BO2 (320.19474999999994)
methyl 3-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-y l)phenyl]propanoate
C17H25BO5 (320.17949500000003)
4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline-6-carbaldehyde
C17H16N6O (320.13855259999997)
6-(7-methyl-4-piperazin-1-yl-1H-quinazolin-2-ylidene)cyclohexa-2,4-dien-1-one
dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate
4-methyl-N-[(Z)-[(1R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanylidene]amino]benzenesulfonamide
2-(Boc-Amino)pyridine-3-boronic acid pinacol ester
C16H25BN2O4 (320.19072800000004)
1-benzyl 2-(tert-butyl) tetrahydro-1,2-pyridazinedicarboxylate
METHYL 2-(7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D][1,3]DIOXOL-5-YL)ACETATE
(S)-TERT-BUTYL 4-BENZYL-2-(2-HYDROXYETHYL)PIPERAZINE-1-CARBOXYLATE
C18H28N2O3 (320.20998180000004)
4-{4-[(tert-butoxy)carbonyl]-3-Methylpiperazin-1-yl}benzoic acid
(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl)boronic acid
tert-Butyl (5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)carbamate
C16H25BN2O4 (320.19072800000004)
1-benzofuran-2-yl-(4-benzylpiperazin-1-yl)methanone
tert-butyl 2-oxo-N-(Cbz)-4-imidazolidine carboxylate
Boc-2-Aminopyridine-4-boronic acid pinacol ester
C16H25BN2O4 (320.19072800000004)
tert-butyl 4-((benzylamino)Methyl)-4-hydroxypiperidine-1-carboxylate
C18H28N2O3 (320.20998180000004)
Piperazine-1,4-dicarboxylic acid benzyl ester tert-butyl ester
Boc-6-Aminopyridine-3-boronic acid pinacol ester
C16H25BN2O4 (320.19072800000004)
BENZYL(3S)-1-(CYCLOPROPYLAMINO)-2-HYDROXY-1-OXOHEXAN-3-YLCARBAMATE
TERT-BUTYL (3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-4-YL)CARBAMATE
C16H25BN2O4 (320.19072800000004)
9-((3AR,4R,6R,6AR)-2,2-DIMETHYL-6-((METHYLAMINO)METHYL)TETRAHYDROFURO[3,4-D][1,3]DIOXOL-4-YL)-9H-PURIN-6-AMINE
METHYL 3-ISOPROPOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
C17H25BO5 (320.17949500000003)
1,3-Bis[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-2-propanol
(E)-3-[2-(Pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine
1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylic acid
1-[(TERT-BUTYL)OXYCARBONYL]-3-PYRIDIN-4-YLMETHYLPIPERIDINE-3-CARBOXYLIC ACID
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-FURO[3,2-B]PYRIDINE
tert-butyl N-[1-(benzylamino)-4-methyl-1-oxopentan-2-yl]carbamate
C18H28N2O3 (320.20998180000004)
tert-butyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] carbonate
C17H25BO5 (320.17949500000003)
4-fluoro-1-[2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
C15H21FN6O (320.17607879999997)
4-Fluorophenyl trans-4-heptyl-1-cyclohexanecarboxylate
C20H29FO2 (320.21514659999997)
tert-Butyl 2,7-diazaspiro[4.5]decane-2-carboxylate
C21H24N2O (320.18885339999997)
(4-((4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)METHYL)PHENYL)BORONIC ACID
C16H25BN2O4 (320.19072800000004)
2,5-DIBENZYLTETRAHYDROPYRROLO[3,4-C]PYRROLE-1,3(2H,3AH)-DIONE
1-[(TERT-BUTYL)OXYCARBONYL]-3-PYRIDIN-3-YLMETHYLPIPERIDINE-3-CARBOXYLIC ACID
Niraparib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XK - Poly (adp-ribose) polymerase (parp) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
(3beta,7alpha,15alpha)-3,7,15-Trihydroxy-androst-5-en-17-one
tert-butyl 4-[[4-(aminomethyl)phenyl]methoxy]piperidine-1-carboxylate
C18H28N2O3 (320.20998180000004)
5-Methyl-2-(1-Methylethoxy)-4- (4-piperidinyl)- BenzenaMine hydrochloride (1:2)
C15H24N2O.2(HCl) (320.1422086)
4-boric acid pinacol ester-9,9-dimethyl fluorene
C21H25BO2 (320.19474999999994)
1-Ethyl-3-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
C16H25BN2O4 (320.19072800000004)
4-[6-(Guanidino)pyridin-3-yl]piperazine-1-carboxylic acid tert-butyl ester
C15H24N6O2 (320.19606439999995)
N-tert-Butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C16H25BN2O4 (320.19072800000004)
N-butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
C16H25BN2O4 (320.19072800000004)
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid: propan-2-amine
tert-butyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] carbonate
C17H25BO5 (320.17949500000003)
TRANS-4-BOC-AMINO-1-BENZYLPYRROLIDINE-3-CARBOXYLIC ACID
Methyl 2-acetoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Phenol,4,4-(octahydro-4,7-methano-5H-inden-5-ylidene)bis-
2-t-Butoxycarboxyphenylboronic acid, pinacol ester
C17H25BO5 (320.17949500000003)
1-(5-SEC-BUTYL-2-(METHOXYMETHOXY)PHENYL)NAPHTHALENE
Dibunate
C18H24O3S (320.14460740000004)
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent
Zoniporide
C17H16N6O (320.13855259999997)
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
Imidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one, 2-[4-[(dimethylamino)methyl]phenyl]-5,6-dihydro-
(3R,8R)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxynonanoic acid
(3R)-9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxynonanoic acid
(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
1-Amino-15-oxo-4,7,10-trioxa-14-azaoctadecan-18-oic acid
1-[Bis(prop-2-enyl)amino]-3-(9-carbazolyl)-2-propanol
C21H24N2O (320.18885339999997)
12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one
C19H25FO3 (320.17876320000005)
(Z)-2-cyano-3-(7-methyl-2-piperidin-1-ylquinolin-3-yl)prop-2-enamide
3-(6-Aminopyridin-3-YL)-N-methyl-N-[(1-methyl-1H-indol-2-YL)methyl]acrylamide
feprazone
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Eterobarb
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
60410-89-1
9,13,13-Trimethyl-3-oxo-2-oxatetracyclo[7.6.1.01,6.012,15]hexadecane-5-carboxylic acid
5-(6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL)-2-METHYL-PENTANOIC ACID
Carbamic acid, ((1S)-2-methyl-1-((((1R)-1-(4-methylphenyl)ethyl)amino)carbonyl)propyl)-, 1-methylethyl ester
C18H28N2O3 (320.20998180000004)
(3S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one
(1R,8R,9S,13R,15S)-8,15-dihydroxy-5,5,9-trimethyl-14-methylidene-7-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
2-[(3aS,5aS,6S,9aS,9bS)-6-acetyl-3a,6-dimethyl-3-oxo-1,2,4,5,5a,7,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-yl]acetic acid
11-Meo-fes
C19H25FO3 (320.17876320000005)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4-[(Z)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
(8R,9S,10R,13S,14S,17S)-2,2,17-Trihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
[3-Carboxy-2-(3-carboxy-3-hydroxy-4-methylpentanoyl)oxypropyl]-trimethylazanium
3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
C15H20N4O4 (320.14844800000003)
Atractyligenin
A diterpenoid isolated from coffee silverskin. It inhibits cutaneous photoaging.
11beta-Chloromethylestradiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
5,6-dimethyl-N-[2-methyl-2-(4-morpholinyl)propyl]-4-thieno[2,3-d]pyrimidinamine
5,5-Dimethyl-2-[(4-phenylphenyl)hydrazinylidene]cyclohexane-1,3-dione
N-[2-(2-pyridinyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide
4-(4-tert-butylphenoxy)-N-(4,5-dihydrothiazol-2-yl)butanamide
14-Hydroxyplatensic Acid Methyl Ester
A polycyclic cage that is the methyl ester derivative of 14-hydroxyplatensic acid. It is isolated from Streptomyces platensis.
2-(3-acetyl-1-indolyl)-N-(2,4-dimethylphenyl)acetamide
(3S)-3-(2-methylpropyl)-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester
(2S,4S)-4-tert-butyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylic acid
(E)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one
N-(2-furylmethyl)-3-[(2s,5as,8ar)-1-methyl-5-oxodecahydropyrrolo[3,2-e][1,4]diazepin-2-yl]propanamide
2,4-Dihydroxy-3-methyl-6-(2-oxoundecyl)benzaldehyde
A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 3 and 6 have been replaced by a methyl and 2-oxoundecyl groups, respectively.
6-[1-oxo-3(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran
A member of the class of chromenes that is 2H-chromene substituted by geminal methyl groups at position 2, methoxy groups at positions 5 and 7 and a (3R)-3-methoxybutanoyl group at position 6. Isolated from the leaves of Mallotus apelta, it exhibits antineoplastic activity.
3-[cyclopropylmethyl(propyl)amino]-N-(3,5-dimethoxyphenyl)propanamide
C18H28N2O3 (320.20998180000004)
(E)-1-(7-methoxy-2,2-dimethylchromen-8-yl)-3-phenylprop-2-en-1-one
[(2R,3R,6S)-3-amino-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
C16H21FN4O2 (320.16484579999997)
[(2S,3S,6R)-3-amino-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
C16H21FN4O2 (320.16484579999997)
cyclopropyl-[(1S,5R)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
isopropylammonium 2-[(R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]nicotinate
isopropylammonium 2-[(S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]nicotinate
(9R,17S)-9-fluoro-11,17-dihydroxy-10,17-dimethyl-2,6,7,8,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
C19H25FO3 (320.17876320000005)
(3R,9R)-9-fluoro-10,17,17-trimethyl-1,2,3,6,7,8,11,12,15,16-decahydrocyclopenta[a]phenanthrene-3,11-diol
C20H29FO2 (320.21514659999997)
(5S,9S,17R)-9-fluoro-17-hydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
C20H29FO2 (320.21514659999997)
(5R,9S,17R)-9-fluoro-17-hydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
C20H29FO2 (320.21514659999997)
(9S,17R)-9-fluoro-17-hydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
C20H29FO2 (320.21514659999997)
1,2-Benzenedicarboxylic acid isopropyl 2-ethylhexyl ester
5-Benzyl-2-(4-methylphenyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione
3,4-Dihydro-2,5,7,8-tetramethyl-6-hydroxy-2H-1-benzopyran-2-propanoic acid isopropyl ester
(1R,6R,9R)-9,13,13-trimethyl-3-oxo-2-oxatetracyclo[7.6.1.01,6.012,15]hexadecane-5-carboxylic acid
2,3-dihydroxypropyl (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[1-Carboxy-3-(2,3-diacetyloxypropoxy)propyl]-trimethylazanium
[1-Carboxy-3-(2-hydroxy-3-pentanoyloxypropoxy)propyl]-trimethylazanium
Isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate
C18H28N2O3 (320.20998180000004)
2-(4-(Piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
5H-1b,10-Methanooxireno[6,7]cyclohepta[1,2-h][2]benzopyran-5-one, dodecahydro-7-hydroxy-4,4,7a,10a-tetramethyl-, (1aS,1bS,3aR,7S,7aR,7bS,10S,10aR)-
3,4,5,6,7,8,9,10-Octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one
Octanoyl-beta-D-glucuronide
A carboxylic ester resulting from the formal condensation of the carboxylic acid group of octanoic (caprylic) acid with the anomeric hydroxy group of beta-D-glucuronic acid.
A-381393
A-381393 is a potent, selective, brain penetrate dopamine D4 receptor antagonist, with Kis of 1.5, 1.9 and 1.6 nM for human dopamine D4.4, D4.2, and D4.7 receptor, respectively, >2700-fold selectivity over D1, D2, D3 and D5 dopamine receptors. A-381393 shows moderate affinity for 5-HT2A (Ki, 370 nM)[1].
ABT-107
ABT-107 is a selective α7 neuronal nicotinic receptor agonist. ABT-107 protects against nigrostriatal damage in rats with unilateral 6-hydroxydopamine lesions[1][2].