Exact Mass: 320.1671
Exact Mass Matches: 320.1671
Found 500 metabolites which its exact mass value is equals to given mass value 320.1671
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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
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].
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)
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
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
Lesopitron
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
Arginylphenylalaninamide
Zearalanone
Zoniporide
9-Propanoyl-10-hydroxy-3,11(13)-guaiadien-12,6-olide
Diester with 4-(1,2-epoxy-1-methylethyl)-3-hydroxybenzyl alc. isobutyric acid
4-(4-Ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
n,n,n,n-tetrakis(2-hydroxyethyl)adipamide
CONFIDENCE standard compound; INTERNAL_ID 4064 INTERNAL_ID 4064; CONFIDENCE standard compound
Isobutyric acid 1-[3-methoxy-4-(isobutyryloxy)phenyl]-2-propenyl ester
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
1-[4-[(3,7-dimethyl-2,6-octadienyl)oxy]-2,6-dihydroxyphenyl]-2-hydroxyethanone
2-ethylhexanoic acid beta-D-glucuronide|O1-((R)-2-Aethyl-hexanoyl)-beta-D-glucopyranuronsaeure|O1-((R)-2-ethyl-hexanoyl)-beta-D-glucopyranuronic acid
(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
2,3-Dihydro-3-hydroxy-4-phenyl-5,9-dimethoxy-1H-phenalene
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
1beta,14,15-trihydroxy-13-methoxy-8,11,13-podocarpatrien-7-one
(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
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
(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
(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
9beta-propionyloxy-1alpha,10beta-epoxyhaageanolide
7-Methoxy-8-(2-ethoxy-3-hydroxy-3-methylbutyl)coumarin
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
(+)-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
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
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].
MESTRANOL BICARBONATE
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.
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
methyl 3-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-y l)phenyl]propanoate
4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline-6-carbaldehyde
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
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
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
1-benzofuran-2-yl-(4-benzylpiperazin-1-yl)methanone
tert-butyl 2-oxo-N-(Cbz)-4-imidazolidine carboxylate
Piperazine-1,4-dicarboxylic acid benzyl ester tert-butyl ester
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
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
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 [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] carbonate
4-fluoro-1-[2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
tert-Butyl 2,7-diazaspiro[4.5]decane-2-carboxylate
(4-((4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)METHYL)PHENYL)BORONIC ACID
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
5-Methyl-2-(1-Methylethoxy)-4- (4-piperidinyl)- BenzenaMine hydrochloride (1:2)
1-Ethyl-3-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
4-[6-(Guanidino)pyridin-3-yl]piperazine-1-carboxylic acid tert-butyl ester
N-tert-Butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
N-butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
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
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
1-(5-SEC-BUTYL-2-(METHOXYMETHOXY)PHENYL)NAPHTHALENE
Zoniporide
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
12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one
(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
(3S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one
11-Meo-fes
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
[3-Carboxy-2-(3-carboxy-3-hydroxy-4-methylpentanoyl)oxypropyl]-trimethylazanium
3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
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
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.
(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
[(2S,3S,6R)-3-amino-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
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
5-Benzyl-2-(4-methylphenyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione
[1-Carboxy-3-(2,3-diacetyloxypropoxy)propyl]-trimethylazanium
2-(4-(Piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
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.
(1r,3s,4s,5e)-7-ethoxy-3-hydroxy-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione
(1e)-2-(2-hydroxy-4-methylphenyl)-3-[(2-methylpropanoyl)oxy]prop-1-en-1-yl 2-methylpropanoate
10-{[2-(4-hydroxyphenyl)ethyl]azanidyl}-7-methyl-11-oxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,8(12),9-tetraen-7-ium-7-yl
(1r,3r,4s,5z,7s)-7-ethoxy-3-hydroxy-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione
4-[3-(hept-1-en-1-yl)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
6-hydroxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-7-oxo-5,6-dihydro-3h-1-benzopyran-4-yl acetate
(4r)-5,5-dimethyl-4-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)oxolan-2-one
(4r,4ar,5s,8r)-8-hydroxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,8h-indeno[1,2-b]furan-4-yl 2-methylpropanoate
8-methoxy-3,6,10-trimethyl-4-oxo-5h,6h,7h,8h,11h-cyclodeca[b]furan-5-yl acetate
3,6-dimethyl-2-oxo-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
1-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2,6-dihydroxyphenyl)-2-hydroxyethanone
5-(4-{5-[(3-ethyloxiran-2-yl)methylidene]-1-hydroxy-4-oxocyclopent-2-en-1-yl}butyl)oxolan-2-one
(5r,6s,8s)-8-methoxy-3,6,10-trimethyl-4-oxo-5h,6h,7h,8h,11h-cyclodeca[b]furan-5-yl acetate
(1r,4r,4as,10as)-4,8-dihydroxy-1-(hydroxymethyl)-7-methoxy-1,4a-dimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
5-methoxy-2-phenyl-8-(prop-1-en-2-yl)-4h,8h,9h-furo[2,3-h]chromene
4-[(3r,7s,13s)-13-hydroxy-3-methyl-10-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(9),5-dien-6-yl]pentanoic acid
(1s,2s,5s,6r,7s,12r,14s)-5,9,14-trimethyl-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-7-yl propanoate
methyl (1z,3r,5z,8z)-3-(acetyloxy)-4,4,8-trimethyl-7-oxocycloundeca-1,5,8-triene-1-carboxylate
methyl (1r,19s)-8,16-diazahexacyclo[10.6.1.1¹⁰,¹².0¹,⁹.0²,⁷.0¹⁶,¹⁹]icosa-2,4,6,8,13-pentaene-10-carboxylate
6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-5-yl propanoate
9-hydroxy-12-methyl-8,17-diazahexacyclo[11.6.1.1¹⁰,¹³.0¹,¹⁰.0²,⁷.0¹⁷,²⁰]henicosa-2,4,6,8,14-pentaen-11-one
({5-butyl-7-oxo-decahydropyrrolo[2,1-j]quinolin-3-yl}methyl)sulfanylcarbonitrile
10,22-dioxokopsan
{"Ingredient_id": "HBIN000032","Ingredient_name": "10,22-dioxokopsan","Alias": "NA","Ingredient_formula": "C20H20N2O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6472","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohexan-1-one
{"Ingredient_id": "HBIN010487","Ingredient_name": "4-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohexan-1-one","Alias": "4-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyethyl]cyclohexan-1-one; 4-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]cyclohexan-1-one; 4-hydroxy-4-[2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]ethyl]-1-cyclohexanone","Ingredient_formula": "C14H24O8","Ingredient_Smile": "NA","Ingredient_weight": "320.34","OB_score": "5.432640913","CAS_id": "123563-44-0","SymMap_id": "SMIT05415","TCMID_id": "NA","TCMSP_id": "MOL003326","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}