Exact Mass: 326.1518
Exact Mass Matches: 326.1518
Found 500 metabolites which its exact mass value is equals to given mass value 326.1518,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
LICARIN A
(-)-Licarin A is a natural product found in Magnolia dodecapetala, Magnolia kachirachirai, and other organisms with data available. Dehydrodiisoeugenol is a natural product found in Myristica fragrans with data available. Dehydrodiisoeugenol is isolated from Myristica fragrans Houtt, shows anti-inflammatory and anti-bacterial actions[1]. Dehydrodiisoeugenol inhibits LPS- stimulated NF-κB activation and cyclooxygenase (COX)-2 gene expression in murine macrophages[2]. Dehydrodiisoeugenol is isolated from Myristica fragrans Houtt, shows anti-inflammatory and anti-bacterial actions[1]. Dehydrodiisoeugenol inhibits LPS- stimulated NF-κB activation and cyclooxygenase (COX)-2 gene expression in murine macrophages[2]. Licarin A ((+)-Licarin A), a neolignan, significantly and dose-dependently reduces TNF-α production (IC50=12.6 μM) in dinitrophenyl-human serum albumin (DNP-HSA)-stimulated RBL-2H3 cells. Anti-allergic effects. Licarin A reduces TNF-α and PGD2 production, and COX-2 expression[1]. Licarin A ((+)-Licarin A), a neolignan, significantly and dose-dependently reduces TNF-α production (IC50=12.6 μM) in dinitrophenyl-human serum albumin (DNP-HSA)-stimulated RBL-2H3 cells. Anti-allergic effects. Licarin A reduces TNF-α and PGD2 production, and COX-2 expression[1].
Meptin
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists Same as: D02404
Acepromazine
Acepromazine is only found in individuals that have used or taken this drug. It is one of the phenothiazine derivative psychotropic drugs, used little in humans, however frequently in animals as a sedative and antiemetic.Acepromazine acts as an antagonist (blocking agent) on different postsysnaptic receptors -on dopaminergic-receptors (subtypes D1, D2, D3 and D4 - different antipsychotic properties on productive and unproductive symptoms), on serotonergic-receptors (5-HT1 and 5-HT2, with anxiolytic, antidepressive and antiaggressive properties as well as an attenuation of extrapypramidal side-effects, but also leading to weight gain, fall in blood pressure, sedation and ejaculation difficulties), on histaminergic-receptors (H1-receptors, sedation, antiemesis, vertigo, fall in blood pressure and weight gain), alpha1/alpha2-receptors (antisympathomimetic properties, lowering of blood pressure, reflex tachycardia, vertigo, sedation, hypersalivation and incontinence as well as sexual dysfunction, but may also attenuate pseudoparkinsonism - controversial) and finally on muscarinic (cholinergic) M1/M2-receptors (causing anticholinergic symptoms like dry mouth, blurred vision, obstipation, difficulty/inability to urinate, sinus tachycardia, ECG-changes and loss of memory, but the anticholinergic action may attenuate extrapyramidal side-effects). N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
Aceprometazine
Aceprometazine (INN) is a prescription drug with neuroleptic and anti-histamine properties. It is not widely prescribed. It may be used in combination with meprobamate for the treatment of sleep disorders. This combination is available in France under the trade name Mepronizine. [Wikipedia] D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
5,5-Diisopropyl-2,2'-dimethylbiphenyl-3,3',4,4'-tetrone
5,5-Diisopropyl-2,2-dimethylbiphenyl-3,3,4,4-tetrone is found in herbs and spices. 5,5-Diisopropyl-2,2-dimethylbiphenyl-3,3,4,4-tetrone is a constituent of the leaves of thyme Thymus vulgaris. Shows antioxidant activity. Constituent of the leaves of thyme Thymus vulgaris. Shows antioxidant activity. 5,5-Diisopropyl-2,2-dimethylbiphenyl-3,3,4,4-tetrone is found in herbs and spices.
Gingerenone C
Constituent of Zingiber officinale (ginger). Gingerenone C is found in herbs and spices and ginger. Gingerenone C is found in ginger. Gingerenone C is a constituent of Zingiber officinale (ginger)
1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione
1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione is found in herbs and spices. 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione is from Alpinia officinarum (lesser galangal). From Alpinia officinarum (lesser galangal). 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione is found in herbs and spices.
Alkaloid AQC2
Alkaloid AQC2 is an alkaloid AQC2 is an alkaloid from cell cultures of Aspidosperma quebracho-blanco (quebracho)
(+)-Galeon
(-)-Galeon is found in herbs and spices. (-)-Galeon is a constituent of Myrica gale (bog myrtle)
1,2-Dihydrodehydroguaiaretic acid
1,2-Dihydrodehydroguaiaretic acid is found in herbs and spices. 1,2-Dihydrodehydroguaiaretic acid is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). 1,2-Dihydrodehydroguaiaretic acid is found in herbs and spices.
Dehydrodiisoeugenol
Gelsenicine
Humantenmine, a newalkaloid isolated from Gelsemium elegan Banth in China, has the potential for pain and rheumatic arthritis treatment[1][2]. Humantenmine, a newalkaloid isolated from Gelsemium elegan Banth in China, has the potential for pain and rheumatic arthritis treatment[1][2].
Hydrodolasetron
Nipradilol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Poncitrin
Poncitrin is a member of the class of compounds known as linear pyranocoumarins. Linear pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) linearly fused to a coumarin moiety. Poncitrin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Poncitrin can be found in sweet orange, which makes poncitrin a potential biomarker for the consumption of this food product.
Humantenmine
Humantenmine, a newalkaloid isolated from Gelsemium elegan Banth in China, has the potential for pain and rheumatic arthritis treatment[1][2]. Humantenmine, a newalkaloid isolated from Gelsemium elegan Banth in China, has the potential for pain and rheumatic arthritis treatment[1][2].
Dehydrodiisoeugenol
Dehydrodiisoeugenol is isolated from Myristica fragrans Houtt, shows anti-inflammatory and anti-bacterial actions[1]. Dehydrodiisoeugenol inhibits LPS- stimulated NF-κB activation and cyclooxygenase (COX)-2 gene expression in murine macrophages[2]. Dehydrodiisoeugenol is isolated from Myristica fragrans Houtt, shows anti-inflammatory and anti-bacterial actions[1]. Dehydrodiisoeugenol inhibits LPS- stimulated NF-κB activation and cyclooxygenase (COX)-2 gene expression in murine macrophages[2].
2-Carboxy-3,5-dihydroxy-4-(3-methyl-2-butenyl)bibenzyl
Acutifolin A
Broussinol
4-[(2R,3R)-2,3-dihydro-7-methoxy-3-methyl-5-(prop-2-enyl)benzofuran-2-yl]-2-methoxyphenol|isodihydrocarinatidin
Triptonolide
A tetracyclic diterpenoid with formula C20H22O4, originally isolated from Tripterygium wilfordii.
2-Phenyl-4--6-methyl-7(?)-hydroxy-2,3-dihydro-1,4-benzoxazin-3-on|2-Phenyl-4--6-methyl-7-hydroxy-2,3-dihydro-1,4-benzoxazin-3-on|4-(2-dimethylamino-ethyl)-7-hydroxy-6-methyl-2-phenyl-4H-benzo[1,4]oxazin-3-one
Rac-(2S,3S)-5-allyl-6-hydroxy-2-(3,4-dimethoxyphenyl)-3-methyl-2,3-dihydrobenzofuran
7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3,5-heptadione|7-(4-hydroxy-3methoxyphenyl)-1-phenyl-3,5-heptadione
(4E,6R)-6-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one|alpinoid B
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,7-dihydroxynaphthalene-1,4-dione
(Z)-10-hydroxy-N(alpha)-demethyl-19,20-dehydroraumacline
1,7,8,12b-tetrahydro-2,2,4-trimethyl-2h-benzo[6,7]cyclohepta[1,2,3-de][1]benzopyran-5,10,11-triol
1,3-dihydroxy-3-methyl-3-methyl-3-prenyl-2,3-dihydronaphto[1,2-b]oxepin-4(1H)-one|aggregatin D
1-(4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one
(9S)-3(?),9-Dihydroxy-1H-cinchonan-2-on|(9S)-3(?),9-dihydroxy-1H-cinchonan-2-one
3-Geranyl-4-hydroxy-5-cumarincarbaldehyd|Piloselloidal
4-[(2S)-3,4-dihydro-7-hydroxy-8-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-yl]-1,3-benzenediol|Anticancer Flavonoid PMV70P691-013|morusyunnansin F
(3S)-Methoxy-1,7-bis(4-hydroxyphenyl)-6E-hepten-5-one
(7alpha,8beta)-4,4-dihydroxy-3,3-dimethoxy-6,7-cyclolign-7-ene|(7R,8S)-4,5-dihydroxy-8,8-dimethyl-3,4-dimethoxy-2,7-cyclolignan-7-ene
4-[(E,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-1-enyl]phenol
3-Ethyl-11-hydroxy-1,3-ethano-1,3-propanospiro[1H-indole-2(3H),2-piperidine]-9,10-dione
2,4,5-trihydroxy-3-methoxy-4-(gamma,gamma-dimethylallyl)stilbene|artolacuchin
(E)-4-(3-methyl-2-buten-1-yl)-3,3,5-trihydroxy-4-methoxystilbene
3,5,3-trihydroxy-4-methoxy-5-isopent-2-enylstilbene|MIP
(E)-3-(3-methyl-2-butenyloxy)-4,5-dihydroxy-3-methoxystilbene|E-1-[5-hydroxy-3-(3-methylbut-2-enyloxy)phenyl]-2-[4-hydroxy-3-methoxyphenyl]ethene
(E)-2-(3-methyl-2-buten-1-yl)-3,4,5-trihydroxy-3-methoxystilbene
3-Ethyl-3-hydroxy-1,3-ethano-1,3-propanospiro[1H-indole-2(3H),2-piperidine]-9,10-dione
4,4-diallyl-5,5-dimethoxy-[1,1-biphenyl]-2,2-diol|biseugenol A
3-Ethyl-5-hydroxy-1,3-ethano-1,3-propanospiro[1H-indole-2(3H),2-piperidine]-9,10-dione
5-hydroxy-2,8,8-trimethyl-6-(3-methyl-but-2-enyl)-8H-pyrano[2,3-f]chromen-4-one|6-(3,3-dimethylallyl)alloptaeroxylin|6-(3-methylbut-2-enyl)allopteroxylin
1-(3-Methyl-2-butenyl)-2-(4-hydroxyphenyl)-5-hydroxybicyclo[3.3.1]nona-6-ene-8,9-dione
Trimethylsilyl [3-methoxy-4-(trimethylsilyloxy)phenyl]acetate
(E)-1-(2-Hydroxy-5-methoxyphenyl)propene ??-D-glucopyranoside
2H,8H-Benzo[1,2-b:5,4-b]dipyran-2-one, 5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-
3-Deoxybidensyneoside B|3-deoxybidensyneoside C|8(E)-8-decene-4,6-diyne-1,10-diol 1-O-beta-D-glucopyranoside
10-(4-hydroxy-4-methylpent-2-enoyl)-13-isopropyl-5-methyl-[1,2]naphthoquinone|8-[(2E)-4-hydroxy-4-methyl-1-oxopent-2-en-1-yl]-7-methyl-3-(1-methylethyl)naphthalen-1,2-dione|prionoid E
7-(3,7-dimethylocta-2,5,7-trienyloxy)-8-methoxycoumarin|schinitrienin
(3R)-3,5-dihydroxy-4-methoxy-3,4-oxo-1,7-diphenyl-1-heptene
2-<4(?)-Hydroxyphenyl>-4--6-methyl-2,3-dihydro-1,4-benzoxazin-3-on|4-(2-dimethylamino-ethyl)-2-(4-hydroxy-phenyl)-6-methyl-4H-benzo[1,4]oxazin-3-one
2-Phenyl-4--6-hydroxymethyl-2,3-dihydro-1,4-benzoxazin-3-on|4-(2-dimethylamino-ethyl)-6-hydroxymethyl-2-phenyl-4H-benzo[1,4]oxazin-3-one
Phenol, 2-methoxy-6-(2-methoxy-4-(2-propenyl)phenoxy)-4-(2-propenyl)-
(2S,3S,5S,Z)-5-hydroxy-7-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)hept-6-ene-2,3-diyl diacetate|synparvolide B
dimoxystrobin
CONFIDENCE standard compound; INTERNAL_ID 2597 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3598
ACEPROMAZINE
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
4-[(3S)-7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
4-amino-2-hydroxy-5-[[1-hydroxy-1-(5-oxo-6-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid
NPE_327.1704_12.2
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1102
C16H22O7_(4E)-7-Acetoxy-6-hydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate
C20H22O4_2-Methoxy-4-{(2S,3R)-7-methoxy-3-methyl-5-[(1E)-1-propen-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol
4-amino-2-hydroxy-5-[[1-hydroxy-1-(5-oxo-6-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid
Aceprometazine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
4-amino-2-hydroxy-5-[[1-hydroxy-1-(5-oxo-6-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid_major
4-amino-2-hydroxy-5-[[1-hydroxy-1-(5-oxo-6-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid_95.8\\%
[(4E)-7-acetyloxy-6-hydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate_major
[(4E)-7-acetyloxy-6-hydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate_61.4\\%
[(4E)-7-acetyloxy-6-hydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate_59.2\\%
Gly Gly Pro Pro
Gly Pro Gly Pro
Gly Pro Pro Gly
Pro Gly Gly Pro
Pro Gly Pro Gly
Pro Pro Gly Gly
1H-Indole-3-carboxylic acid, octahydro-3-hydroxy-2,6-methano-2H-quinolizin-8-yl ester, N-oxide
Acetylpromazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
(+)-galeon
1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione
1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4'-glucoside
Raspberry ketone glucoside
Raspberry ketone glucoside is a natural product in raspberry fruit. Raspberry ketone glucosidev has the inhibitory effect on the melanin synthesis[1]. Raspberry ketone glucoside is a natural product in raspberry fruit. Raspberry ketone glucosidev has the inhibitory effect on the melanin synthesis[1].
Alkaloid AQC2
5,5-Diisopropyl-2,2'-dimethylbiphenyl-3,3',4,4'-tetrone
(4E)-7-Acetoxy-6-hydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate
4-Allyl-2-[1-(1,3-benzodioxol-5-yl)-2-propanyl]-6-methoxyphenol
1-[2-AMINO-1-(3-PHENOXY-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
1-{2-(Cyclopropylmethoxy)-6-[(4-methoxybenzyl)oxy]phenyl}ethanone
N-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)PROPANE-2-SULFONAMIDE
4-methoxyphenyl 3,4-o-isopropylidene-beta-d-galactopyranoside
Meptin
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
4-Chloro-5-fluoro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
1H-Pyrrolo[2,3-b]pyridine, 1-[(1,1-dimethylethyl)dimethylsilyl]-5-(3-fluorophenyl)-
METHYL 4-(PHENYL-PROPIONYL-AMINO)-PIPERIDINE-4-CARBOXYLATE HCL
ethyl prop-2-enoate,N-(hydroxymethyl)prop-2-enamide,prop-2-enenitrile,prop-2-enoic acid
10-(a-diethylaminopropionyl)-phenothiazi ne hydrochloride (as-139
Glycine,N,N-1,2-ethanediylbis[N-(carboxymethyl)-, ammonium salt (1:2)
Bumadizone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances 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 D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2-(Boc-Amino)thiazole-5-boronic acid pinacol ester
8-(2-methoxy-2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one,hydrochloride
(1R,4R)-[4-(6-Chloro-pyriMidin-4-ylaMino)-cyclohexyl]-carbaMic acid tert-butyl ester
2-ETHYL-4-(4-METHYLPIPERAZIN-1-YL)-10H-BENZO[B]THIENO[2,3-E][1,4]DIAZEPINE
4-(3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzaldehyde
Agatharesinol acetonide
A natural product found in Metasequoia glyptostroboides.
4-([2-(1H-INDOL-3-YL)-ETHYLAMINO]-METHYL)-2,6-DIMETHOXY-PHENOL
6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
(3bR,9bS)-6-hydroxy-9b-methyl-7-(propan-2-yl)-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione
4,9-dimethyl-3-(2H-tetrazol-5-ylmethoxy)-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one
Benzeneacetamide, 2-((2,5-dimethylphenoxy)methyl)-alpha-(methoxyimino)-N-methyl-
Methacrylic acid 2-hydroxy-3-(4-anilinoanilino)propyl ester
5,5-Diethoxy-4-hydroxy-2-oxopentylphosphonic acid diethyl ester
VALTORCITABINE
C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
(3aS,4R,9bR)-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
4-(6-{[(1r)-1-(Hydroxymethyl)propyl]amino}imidazo[1,2-B]pyridazin-3-Yl)benzoic Acid
2,6-Dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2-methyl-4-isoxazolyl]-phenol
Nipradilol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Lysine acetylsalicylate
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D004791 - Enzyme Inhibitors
4-Amino-2-hydroxy-5-[[1-hydroxy-1-(2-oxo-1-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid
4-{Methyl[3-phenyl-3-(pyridin-2-yl)propyl]amino}-4-oxobutanoic acid
[3-carboxy-2-[(3E,5E,7E)-8-carboxyocta-3,5,7-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E,7E)-8-carboxyocta-2,4,7-trienoyl]oxypropyl]-trimethylazanium
3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione
3-Piperidin-1-ylpropyl 4-amino-5-chloro-2-methoxybenzoate
(3R,4R)-4,8-dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
A natural product found in Colletotrichum species.
nor-6,7-secoangustilobine A, (rel)-
A natural product found in Alstonia spatulata.
[4-(2-Hydroxyethyl)-1-piperazinyl]-(4-phenylphenyl)methanethione
4-(4-methoxyphenyl)-N-[(E)-(2-methoxyphenyl)methylidene]butanehydrazide
3-(4-Acetylphenyl)-1-(phenylmethyl)-1-propylthiourea
1-Decanoyl-sn-glycero-3-phosphate
A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as decanoyl.
N-[2-(1-cyclohexenyl)ethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide
N-[(3-methylphenyl)methyl]-6-(3-pyridinyl)-4-quinazolinamine
6-(3-methylphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
1-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
1,9,10-Trihydroxy-2-methoxy-6,6-dimethyl-5,6-dihydro-4H-dibenzo[de,g]quinoline-6-ium
[(1R,2aS,8bS)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-fluorophenyl)methanone
(6R,7S,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
[(1S,2aR,8bR)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-fluorophenyl)methanone
(6S,7S,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
2-[(Z)-1-(1-benzofuran-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine
2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-1-yl)benzoic acid
3,4,5-Trihydroxy-6-(2-methyl-3-phenylpropoxy)oxane-2-carboxylic acid
(2Z,3Z)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
2-[2,3-Diacetyloxypropoxy(hydroxy)phosphoryl]ethyl-trimethylazanium
5,5-Diisopropyl-2,2-dimethylbiphenyl-3,3,4,4-tetrone
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one
A diarylheptanoid that is (4E)-4-hepten-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis.
1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-dione
1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4-glucoside
bulbocapnine(1+)
An organic cation that is the conjugate acid of bulbocapnine, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Crocetin(2-)
A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of crocetin. The major species at pH 7.3.
(9r)-17,19-dioxatetracyclo[12.6.1.1²,⁶.0¹⁶,²⁰]docosa-1(21),2(22),3,5,14,16(20)-hexaene-3,9-diol
7-methoxy-11,11-dimethyl-5h,10h,10ah-benzo[b]fluorene-4b,5,9-triol
8-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2,7-dihydroxynaphthalene-1,4-dione
6-methoxy-3-(6-methoxy-3,4-dihydro-2h-1-benzopyran-3-yl)-3,4-dihydro-2h-1-benzopyran
3-ethyl-11-hydroxy-5-oxa-8,18-diazapentacyclo[9.7.1.1³,⁸.0⁴,⁶.0¹²,¹⁷]icosa-1(18),12,14,16-tetraen-19-one
4-{6,7-dimethyl-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-5-yl}-2-methoxyphenol
6-isopropyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohepta-2,4,6-trien-1-one
5-methyl-4-{2-[(3z,5r)-5-(2-methylprop-1-en-1-yl)oxolan-3-ylidene]ethoxy}chromen-2-one
(12r,19s)-12-ethyl-9,19-dihydroxy-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(18),2,4,6,8-pentaen-17-one
10-hydroxy-2-isopropyl-3-methoxy-8,8-dimethyl-7h-phenanthrene-1,9-dione
(4r,7e,9r,10s,13e,16s)-9-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
7-ethyl-3,8,9-trihydroxy-2,4,4,6-tetramethylanthracen-1-one
(1r,12s)-16-hydroxy-15-methoxy-1-methyl-5,7-dioxa-1-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-1-ium
8-methoxy-15-oxa-1,11-diazahexacyclo[15.3.1.0⁴,¹².0⁴,²⁰.0⁵,¹⁰.0¹³,¹⁸]henicosa-5,7,9,16-tetraen-14-ol
(4e,6r)-6-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one
(1r)-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.0²,⁷.0¹⁴,¹⁸]octadeca-2,4,6,10,12,14(18)-hexaene-5,6,12-triol
(12s)-15-hydroxy-16-methoxy-1-methyl-5,7-dioxa-1-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-1-ium
(6z,9z)-10-[(1r,3r,4r,6r,7s)-6-chloro-3-ethyl-2-oxabicyclo[2.2.1]heptan-7-yl]deca-6,9-dienoic acid
4-[(3s)-3-[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-1-en-1-yl]phenol
10-{6-chloro-3-ethyl-2-oxabicyclo[2.2.1]heptan-7-yl}deca-6,9-dienoic acid
(2r,3s,4r,5r,6s)-2-{[(2r,3r,4r)-2,6-dihydroxy-4-methoxyhexan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(6r,7s,8s)-8-(2h-1,3-benzodioxol-5-yl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
(4s,7e,10s,13e,15r,16s)-15-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
4-[(3s)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol
(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl (2e,6z)-deca-2,6-dien-4-ynoate
4-(7-hydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)-3-(3-methylbut-2-en-1-yl)benzene-1,2-diol
(1s,12as,13r,14r,15ar)-14-chloro-1-ethyl-13-hydroxy-1h,4h,5h,6h,7h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one
(4br,5r,9ar,10as)-5,9a-dihydroxy-7-methoxy-11,11-dimethyl-4bh,5h,10h,10ah-cyclohexa[b]fluoren-9-one
3-hydroxy-5-[(1z)-3-hydroxy-4-methylpenta-1,3-dien-1-yl]-2-isopropyl-6-methylnaphthalene-1,4-dione
15-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
19,21-dioxa-2,12-diazaheptacyclo[10.9.1.1¹⁶,²⁰.0¹,⁹.0²,¹⁸.0³,⁸.0¹⁶,²²]tricosa-3,5,7-trien-9-ol
(2s,3s)-2-(3,4-dimethoxyphenyl)-3-methyl-5-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-ol
(1s)-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.0²,⁷.0¹⁴,¹⁸]octadeca-2,4,6,10,12,14(18)-hexaene-4,5,12-triol
3-[3-(7-butyl-6-hydroxy-4-methyl-6,7-dihydro-1,5,2,3-dioxadiazepin-2-yl)-3-oxopropyl]-5h-furan-2-one
16-hydroxy-15-methoxy-1-methyl-5,7-dioxa-1-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-1-ium
4-[(2r)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-2-yl]-3-(3-methylbut-2-en-1-yl)benzene-1,2-diol
15-ethyl-4-hydroxy-17-oxa-1,11-diazapentacyclo[13.4.1.0⁴,¹².0⁵,¹⁰.0¹⁶,¹⁸]icosa-5,7,9,11-tetraen-13-one
3,3’-bis(6-methoxychroman)
{"Ingredient_id": "HBIN007157","Ingredient_name": "3,3\u2019-bis(6-methoxychroman)","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "COC1=CC2=C(C=C1)OCC(C2)C3CC4=C(C=CC(=C4)OC)OC3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2481","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s)-methoxy-1,7-bis(4-hydroxyphenyl)-6 e-hepten-5-one
{"Ingredient_id": "HBIN009724","Ingredient_name": "(3s)-methoxy-1,7-bis(4-hydroxyphenyl)-6 e-hepten-5-one","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "COC(CCC1=CC=C(C=C1)O)CC(=O)C=CC2=CC=C(C=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13852","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,8-dihydroxy-2h-1-benzopyran-2-one; 7-o-(3,7-dimethyl-2,5,7-octatrienyl),8-me ether
{"Ingredient_id": "HBIN012973","Ingredient_name": "7,8-dihydroxy-2h-1-benzopyran-2-one; 7-o-(3,7-dimethyl-2,5,7-octatrienyl),8-me ether","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7485","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-12-methoxy-20-nor-abieta-1,5(10),7,9,12-pentaen-6,14-dione
{"Ingredient_id": "HBIN013200","Ingredient_name": "7-hydroxy-12-methoxy-20-nor-abieta-1,5(10),7,9,12-pentaen-6,14-dione","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10428","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ajuforrestine b
{"Ingredient_id": "HBIN014960","Ingredient_name": "ajuforrestine b","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "CC1COC2=C(C3=C(C(=O)C=C4C3(CCC(=C4C)C)C)C(=C12)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "787","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-013
{"Ingredient_id": "HBIN016322","Ingredient_name": "anticancer flavonoid pmv70p691-013","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "CC(=CCC1=C(C=CC2=C1OC(CC2)C3=C(C=C(C=C3)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1397","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
austrobailignan-5
{"Ingredient_id": "HBIN017382","Ingredient_name": "austrobailignan-5","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC4=C(C=C3)OCO4","Ingredient_weight": "326.39","OB_score": "42.54318497","CAS_id": "55890-23-8","SymMap_id": "SMIT09324","TCMID_id": "NA","TCMSP_id": "MOL007985","TCM_ID_id": "NA","PubChem_id": "185825","DrugBank_id": "NA"}
