Exact Mass: 322.1118
Exact Mass Matches: 322.1118
Found 500 metabolites which its exact mass value is equals to given mass value 322.1118,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
D-Pantothenoyl-L-cysteine
D-Pantothenoyl-L-cysteine is involved in the pantothenate and CoA biosynthesis pathway. D-Pantothenoyl-L-cysteine can be converted into (R)-4-Phosphopantothenoyl-L-cysteine or Pantetheine by type I pantothenate kinase [EC:2.7.1.33] or [4.1.1.30], respectively. [HMDB] D-Pantothenoyl-L-cysteine is involved in the pantothenate and CoA biosynthesis pathway. D-Pantothenoyl-L-cysteine can be converted into (R)-4-Phosphopantothenoyl-L-cysteine or Pantetheine by type I pantothenate kinase [EC:2.7.1.33] or [4.1.1.30], respectively.
Abyssinone I
A monohydroxyflavanone that is (2S)-2,2-dimethyl-2,3-dihydro-2H,4H-2,6-bichromen-4-one carrying a hydroxy substituent at position 7.
Phaseollin
Isolated from Phaseolus vulgaris (kidney bean) and Vigna unguiculata. Phaseollin is found in many foods, some of which are yellow wax bean, soy bean, pulses, and cowpea. Phaseollin is found in common bean. Phaseollin is isolated from Phaseolus vulgaris (kidney bean) and Vigna unguiculata.
8-(3,3-DMA)chrysin
A dihydroxyflavone that is chrysin substituted by a prenyl group at position 8.
eobavaisoflavoe
Neobavaisoflavone is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with an additonal hydroxy group at position 4 and a prenyl group at position 3. Isolated from seeds of Psoralea corylifolia, it exhibits inhibitory activity against DNA polymerase and platelet aggregation. It has a role as a platelet aggregation inhibitor, an antineoplastic agent, a plant metabolite and an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. Neobavaisoflavone is a natural product found in Erythrina sigmoidea, Erythrina latissima, and other organisms with data available. A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with an additonal hydroxy group at position 4 and a prenyl group at position 3. Isolated from seeds of Psoralea corylifolia, it exhibits inhibitory activity against DNA polymerase and platelet aggregation. Neobavaisoflavone, a flavonoid, is isolated from the seeds of Psoralea corylifolia. Neobavaisoflavone exhibits anti-inflammatory, anti-cancer and anti-oxidation activities. Neobavaisoflavone inhibits DNA polymerase at moderate to high concentrations. Neobavaisoflavone also inhibits platelet aggregation[1][2][3][4][5]. Neobavaisoflavone, a flavonoid, is isolated from the seeds of Psoralea corylifolia. Neobavaisoflavone exhibits anti-inflammatory, anti-cancer and anti-oxidation activities. Neobavaisoflavone inhibits DNA polymerase at moderate to high concentrations. Neobavaisoflavone also inhibits platelet aggregation[1][2][3][4][5].
N6-cis-p-Coumaroylserotonin
N6-cis-p-Coumaroylserotonin is a member of hydroxyindoles and a carboxamide. It is functionally related to a serotonin. N-Coumaroyl serotonin is a natural product found in Echinochloa esculenta, Centaurea montana, and other organisms with data available. Ipobscurine A is found in fats and oils. Ipobscurine A is an alkaloid from Carthamus tinctorius (safflower). N-(p-Coumaroyl) Serotonin is a polyphenol isolated from the seeds of safflower and has antioxidative, anti-atherogenic and anti-inflammatory properties. N-(p-Coumaroyl) Serotonin inhibits PDGF-induced on phosphorylation of PDGF receptor and Ca2+ release from sarcoplasmic reticulum[1]. N-(p-Coumaroyl) Serotonin ameliorates atherosclerosis and distensibility of the aortic wall in vivo and is usually used for the atherosclerosis research[2]. N-(p-Coumaroyl) Serotonin is a polyphenol isolated from the seeds of safflower and has antioxidative, anti-atherogenic and anti-inflammatory properties. N-(p-Coumaroyl) Serotonin inhibits PDGF-induced on phosphorylation of PDGF receptor and Ca2+ release from sarcoplasmic reticulum[1]. N-(p-Coumaroyl) Serotonin ameliorates atherosclerosis and distensibility of the aortic wall in vivo and is usually used for the atherosclerosis research[2].
Glabrene
Glabrene is an isoflavonoid. Glabrene is a natural product found in Glycyrrhiza glabra and Glycyrrhiza uralensis with data available. See also: Glycyrrhiza Glabra (part of). Glabrene is found in herbs and spices. Glabrene is a constituent of root of Glycyrrhiza glabra (licorice)
2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol
2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol is found in fruits. 2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol is isolated from the rhizomes of Musa acuminata (dwarf banana) infected with Fusarium oxysporum. Isolated from the rhizomes of Musa acuminata (dwarf banana) infected with Fusarium oxysporum. 2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol is found in fruits.
Berberrubine
Berberrubine is found in fruits. Berberrubine is an alkaloid from Berberis vulgaris (barberry
(-)-Shinpterocarpin
(-)-Shinpterocarpin is found in herbs and spices. (-)-Shinpterocarpin is isolated from roots of Glycyrrhiza glabra (licorice).
Flazine methyl ether
Flazine methyl ether is found in blackcurrant. Flazine methyl ether is an alkaloid from freshly pressed juice of blackcurrant (Ribes nigrum)(Grossulariaceae). Alkaloid from freshly pressed juice of blackcurrant (Ribes nigrum)(Grossulariaceae). Flazine methyl ether is found in fruits and blackcurrant. D004791 - Enzyme Inhibitors
Ketophenylbutazone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AA - Butylpyrazolidines Ketophenylbutazone belongs to the family of Pyrazolones. These are compounds containing a pyrazole ring which bears a ketone. 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
(E)-N-[2-(3-Indolyl)ethyl]-3-(3,4-dihydroxyphenyl)acrylamide
(4E)-2-(4-Chlorophenyl)-4-methoxyimino-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Dansylsarcosine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003619 - Dansyl Compounds
groenlandicine
Groenlandicine is a protoberberine alkaloid isolated from Coptidis Rhizoma. Groenlandicine exhibits moderate inhibitory effect with IC50 value of 154.2 μM for human recombinant aldose reductase (HRAR)[1]. Groenlandicine selectively induces topoisomerase I-mediated DNA cleavage[2]. Groenlandicine is a protoberberine alkaloid isolated from Coptidis Rhizoma. Groenlandicine exhibits moderate inhibitory effect with IC50 value of 154.2 μM for human recombinant aldose reductase (HRAR)[1]. Groenlandicine selectively induces topoisomerase I-mediated DNA cleavage[2].
3K78PYN58P
Licoflavone A is a member of flavones. Licoflavone A is a natural product found in Glycyrrhiza eurycarpa, Glycyrrhiza echinata, and other organisms with data available. See also: Glycyrrhiza inflata root (part of). Licoflavone A is a flavonoid isolated from the roots of Glycyrrhiza uralensis, inhibits protein tyrosine phosphatase-1B (PTP1B), with an IC50 of 54.5 μM[1]. Licoflavone A is a flavonoid isolated from the roots of Glycyrrhiza uralensis, inhibits protein tyrosine phosphatase-1B (PTP1B), with an IC50 of 54.5 μM[1].
D6S8A779IY
Isobavachromene is a natural product found in Millettia ferruginea, Lonchocarpus utilis, and other organisms with data available. 4-Hydroxylonchocarpin is a chalcone compound from an extract of Psoralea corylifolia. 4-Hydroxylonchocarpin increases phosphorylation of p38 MAPK, JNK and ERK. 4-Hydroxylonchocarpin has diverse pharmacological activities, including antibacterial, antifungal, anticancer, antireverse transcriptase, antitubercular, antimalarial, anti-inflammatory and antioxidant activities[1]. 4-Hydroxylonchocarpin is a chalcone compound from an extract of Psoralea corylifolia. 4-Hydroxylonchocarpin increases phosphorylation of p38 MAPK, JNK and ERK. 4-Hydroxylonchocarpin has diverse pharmacological activities, including antibacterial, antifungal, anticancer, antireverse transcriptase, antitubercular, antimalarial, anti-inflammatory and antioxidant activities[1]. Isobavachromene is an antibacterial agent[1]. Isobavachromene is an antibacterial agent[1].
Isoneorautenol
3,4-Didehydroglabridin
3,4-Didehydroglabridin is a natural product found in Glycyrrhiza glabra, Glycyrrhiza uralensis, and Glycyrrhiza inflata with data available.
Neorautenol
Licoflavone A
Licoflavone A is a flavonoid isolated from the roots of Glycyrrhiza uralensis, inhibits protein tyrosine phosphatase-1B (PTP1B), with an IC50 of 54.5 μM[1]. Licoflavone A is a flavonoid isolated from the roots of Glycyrrhiza uralensis, inhibits protein tyrosine phosphatase-1B (PTP1B), with an IC50 of 54.5 μM[1].
7,4-Dihydroxy-8-prenylflavone
Isobavachromene
4-Hydroxylonchocarpin is a chalcone compound from an extract of Psoralea corylifolia. 4-Hydroxylonchocarpin increases phosphorylation of p38 MAPK, JNK and ERK. 4-Hydroxylonchocarpin has diverse pharmacological activities, including antibacterial, antifungal, anticancer, antireverse transcriptase, antitubercular, antimalarial, anti-inflammatory and antioxidant activities[1]. 4-Hydroxylonchocarpin is a chalcone compound from an extract of Psoralea corylifolia. 4-Hydroxylonchocarpin increases phosphorylation of p38 MAPK, JNK and ERK. 4-Hydroxylonchocarpin has diverse pharmacological activities, including antibacterial, antifungal, anticancer, antireverse transcriptase, antitubercular, antimalarial, anti-inflammatory and antioxidant activities[1].
Bavachromene
Bavachromene is a natural product found in Broussonetia papyrifera and Cullen corylifolium with data available.
Neobavaisoflavone
Neobavaisoflavone, a flavonoid, is isolated from the seeds of Psoralea corylifolia. Neobavaisoflavone exhibits anti-inflammatory, anti-cancer and anti-oxidation activities. Neobavaisoflavone inhibits DNA polymerase at moderate to high concentrations. Neobavaisoflavone also inhibits platelet aggregation[1][2][3][4][5]. Neobavaisoflavone, a flavonoid, is isolated from the seeds of Psoralea corylifolia. Neobavaisoflavone exhibits anti-inflammatory, anti-cancer and anti-oxidation activities. Neobavaisoflavone inhibits DNA polymerase at moderate to high concentrations. Neobavaisoflavone also inhibits platelet aggregation[1][2][3][4][5].
1-Ac-1,4-Dihydroxy-5,16-octadecadiene-8,10,12,14-tetrayn-7-one
4-hydroxyisolonchocarpin|4-hydroxylsolonchocarpin|4-OH-Pseudo-Lonchocarpin|Bavachromene|psorachromene
1,2-Dihydroxy-3-(4-methylpent-3-en-1-yl)anthracene-9,10-dione
1-hydroxy-5-methoxy-3,6-bis(phenylmethyl)pyrazin-2-(1H)-one|emeheterone
4-Deoxyterphenyllin
A para-terphenyl that is the 4-deoxy derivative of terphenyllin. It has been isolated from Aspergillus taichungensis.
2,3-Dihydro-3,9-dihydroxy-4-(4-hydroxyphenyl)-5-methoxy-1H-phenalene
(E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethyl-2H-chromen-6-yl)-2-propen-1-one|Kanzonol B
5-chloro-3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde
11-beta-Hydroxy-12-oxocurvularin|11beta-Hydroxy-12-oxocurvularin|8-beta-hydroxy-7-oxocurvularin
3-<2-(trans-cinnamoylamino)-ethyl>-3-hydroxyindolin-2-one|3-[2-(trans-cinnamoylamino)-ethyl]-3-hydroxyindolin-2-one
5,7-Dimethoxy-8-(3,3-dimethoxyoxiranylmethyl)-2H-1-benzopyran-2-one
pyranocoumarin
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
N-phenacetyl-L-tryptophan|N-phenylacetyl-L-tryptophan
rel-(4aR,10aR)-4a,10a-dihydro-3,4a,7,10a-tetramethoxydibenzo[b,e][1,4]dioxin-1(4H)-one|sampsone B
(4RS,4RS)-dihydroxy-(2RS,2RS)-binaphthalene-1,1-dione
1S,2R,3R,4S-2-[(benzoyloxy)methyl]cyclohex-5-ene-1,2,3,4-tetrol 3-acetate
1S,2R,3R,4S-2-[(benzoyloxy)methyl]cyclohex-5-ene-1,2,3,4-tetrol 4-acetate
1-(5,8-dihydroxy-2,2-dimethyl-2h-1-benzopyran-6-yl)-3-phenyl-2-propen-1-one
3,11(R)-dihydroxy-2-methoxy-1,17-oxo-7,13-diphenyl-7,9,12-heptanetriene|ostryopsitrienol
12,16-epoxy-17(15?16),18(4?3)-diabeo-abieta-3,5,8,11,13-pentaene-7,11,14-trione|trichotomone H
(2Z)-8,9-dihydro-2-(4-hydroxybenzylidene)-7,7-dimethyl-7H-furo[2,3-f]chromen-3(2H)-one|damaurone D
2,3-O-Benzylidene,1,5-Di-O-Ac(R-)-beta-D-Furanose-Ribose
1,2-Dihydro-1-hydroxy-2-(1,2,3-trihydroxy-3-methylbuty)-8H-furo[2,3h]-1-benzopyran-8-one
3-methyl-1-[4-(2-pyridin-3-yl-oxazol-5-yl)-phenoxy]-butan-2-one|Halfordinon|Halfordinone|Halfovdinon
1,8-dihydroxynaphthol 1-O-alpha-glucopyranoside|naphthalene-1,8-diol-1-O-alpha-D-glucopyranoside
Eupomaten|Eupomatene|eupomatenoid-1|Eupomatenoide-3
8-methoxy-1-naphthalenol-6-O-alpha-D-ribofuranoside
(+)-(1R,2S,5R,6S)-2,6-di-(4-hydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
(7,14-dioxo-5,7,12,14-tetrahydro-phthalazino[2,3-b]phthalazin-5-yl)-urea|7-Ureido-phthalazino<2,3-b>phthalazin-5,12(7H,14H)-dion
ACon1_000459
8-prenyldaidzein is a 7-hydroxyisoflavone that is daidzein in which the aromatic hydrogen at position 8 has been replaced by a prenyl group. It has a role as a plant metabolite. It is a member of 7-hydroxyisoflavones, a polyphenol and an olefinic compound. It is functionally related to a daidzein. 8-Prenyldaidzein is a natural product found in Erythrina sigmoidea, Erythrina variegata, and other organisms with data available. A 7-hydroxyisoflavone that is daidzein in which the aromatic hydrogen at position 8 has been replaced by a prenyl group.
Phaseolin_(pterocarpan)
Phaseolin is a natural product found in Erythrina abyssinica, Erythrina suberosa, and other organisms with data available.
5-O-Cinnamoylquinic acid
(E)-5-O-Cinnamoylquinic acid is the isomer of 5-O-Cinnamoylquinic acid. 5-O-Cinnamoylquinic acid is a co-pigment. 5-O-Cinnamoylquinic acid could form the stable blue solution to clarify the mechanism of blue sepal-color development of hydrangea[1][2].
7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one [IIN-based on: CCMSLIB00000848834]
7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one [IIN-based: Match]
Cys Gly Gly Ser
Cys Gly Ser Gly
Cys Ser Gly Gly
Gly Cys Gly Ser
Gly Cys Ser Gly
Gly Gly Cys Ser
Gly Gly Ser Cys
Gly Ser Cys Gly
Gly Ser Gly Cys
Ser Cys Gly Gly
Ser Gly Cys Gly
Ser Gly Gly Cys
Chileninone
N6-cis-p-Coumaroylserotonin
Shinpterocarpin
2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol
Kebuzone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AA - Butylpyrazolidines 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
BENZYL 2,6-DIAZASPIRO[3.3]HEPTANE-2-CARBOXYLATE OXALATE
(R)-2-[[2-(4-nitrophenyl ethyl] aMino]-1-phenyl ethanol Monohydrochloride
3-PHENYL-1-(PYRIDIN-2-YL)BENZO[4,5]FURO[3,2-C]PYRIDINE
(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one
(2S,4S)-PROPYL 6-FLUORO-2,5-DIOXOSPIRO[CHROMAN-4,4-IMIDAZOLIDINE]-2-CARBOXYLATE
5-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-2-PHENYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione
1-FLUORO-4-HYDROXY-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS(TETRAFLUOROBORATE)
3-(2,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indazole
2-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE
Methyl 4-hydroxy-6,7-dimethoxy-5-(methoxymethoxy)-2-naphthoate
6-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}tryptoph
Acetamide,N,N-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-
3-(10-(2-CARBOXY-ETHYL)-ANTHRACEN-9-YL)-PROPIONIC ACID
BW-723C86
BW-723C86 is a potent and a selective 5-HT2B receptor agonist. BW-723C86 exhibits anxiolytic-like actions. BW-723C86 also causes hyperphagia and reduced grooming in rats[1][2][3].
3-(4-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-[3-(Ethoxycarbonyl)piperidin-1-yl]-5-nitrobenzoic acid
1,3-DI-O-ACETYL-2-DEOXY-5-O-BENZOYL-L-ERYTHRO-PENTOFURANOSE
4-(3-ethoxycarbonylpiperidin-1-yl)-3-nitrobenzoic acid
1-(METHYLSULFONYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE
3-(2-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Spiro[2H-1-benzopyran-2,2-[2H]indole],1,3-dihydro-1,3,3-trimethyl-6-nitro-
5-O-Benzoyl-1,2-di-O-acetyl-3-deoxy-D-ribofuranose
1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2,2,2]octane bis(tetrafluoroborate)
2-Benzoyl-1-cyano-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
2-Acetamido-4,6-O-benzylidene-2-deoxy-D-gluconhydroximo-1,5-lactone
3-(1,3-difluoropropan-2-yloxy)-5-phenylmethoxybenzoic acid
4-[(1R,2R)-3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
3,3-Dimethyl-6-((2,2-dimethyl-1-oxopropyl)amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid monosodium salt
Thiourea, N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-N-(2-methylpropyl)- (9CI)
N,N-(9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bisacetamide
(2-Fluorophenyl)(1-piperazinyl)methanone trifluoroacetate (1:1)
4-([(3-DIMETHYLAMINO-PROPYL)-METHYL-AMINO]-METHYL)-BENZOIC ACID DIHYDROCHLORIDE
(4-fluorophenyl)(2-(piperazin-1-yl)pyrimidin-5-yl)methanone hydrochloride
N-methoxy-N-methyl-4-(quinolin-2-ylmethoxy)benzamide
2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoic acid
1,3,3-TRIMETHYLSPIRO-8-NITRO(2H-1-BENZOPYRAN)-2,2-INDOLINE
Urea, N-(4-((2S,5S)-5-((4-fluorophenoxy)methyl)tetrahydro-2-furanyl)-3-butyn-1-yl)-N-hydroxy-
Zolazepam hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(E)-N-[2-(3-Indolyl)ethyl]-3-(3,4-dihydroxyphenyl)acrylamide
p-(3-(p-Fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl)benzonitrile
(4E)-2-(4-Chlorophenyl)-4-methoxyimino-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Strobilurin B
An enoate ester that is the methyl ester of (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylene)-3-methylhexa-3,5-dienoic acid. D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals
P-Fluoro Nygerone B
A member of the class of 4-pyridones that is nygerone B in which the N-phenyl substituent has been fluorinated at the para position. It has been isolated from Aspergillus niger ATCC 1015.
8-(4-Aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one
1-Methyl-5-((4-methylpiperidin-1-yl)sulfonyl)indoline-2,3-dione
3-[3-Oxo-4-(2-phenylethyl)-3,4-dihydroquinoxalin-2-yl]propanoic acid
4-(1,3-Benzodioxol-5-ylhydrazinylidene)-5-imino-1-phenyl-3-pyrazolamine
4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester
2-Amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
2,3-Dimethoxy-12H-[1,3]dioxolo[5,6]indeno[1,2-C]isoquinolin-6-ium
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors
(2Z)-2-cyano-N-(3-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide
3-(Hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-phenyl-1h-indole-4,7-dione
N6-cis-p-Coumaroylserotonin
Constituent of dried Amorphophallus konjac (devils tongue). Nb-cis-p-Coumaroylserotonin is found in root vegetables. Ipobscurine A is found in fats and oils. Ipobscurine A is an alkaloid from Carthamus tinctorius (safflower).
(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-alpha-L-rhamnopyranose
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate
[(3S,4R)-4-octanoyl-5-oxooxolan-3-yl]methyl dihydrogen phosphate
(Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
[3-carboxy-2-[(E)-2,3-dihydroxy-5-methylsulfanylpent-4-enoyl]oxypropyl]-trimethylazanium
2-(2-furanyl)-N-(2-oxolanylmethyl)-4-quinolinecarboxamide
4-(3-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl]benzonitrile
1-Ethyl-2-[[(1-methyl-2-benzimidazolyl)thio]methyl]benzimidazole
(2Z)-2-(4-Methoxyphenyl)-2-(quinazolin-4-ylhydrazinylidene)acetic acid
[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]thiourea
N-[3-(3-benzyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetamide
3-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]butanamide
[2-(5-Methyl-2-thiophenyl)-4-quinolinyl]-(1-pyrrolidinyl)methanone
6,7-dimethoxy-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
2-hydroxy-N-[(E)-(6-methyl-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide
(2R,2R,4R,4R)-4,4-dihydroxy-3,3,4,4-tetrahydro-2,2-binaphthalene-1,1(2H,2H)-dione
A ring assembly that consists of two units of 4-hydroxy-3,4-dihydronaphthalen-1(2H)-one joined at their C-2 position. It has been isolated from the roots of Rubia yunnanensis.
Bauhinoxepin A
An organic heterotetracyclic compound that is 3H-chromeno[6,5-b][1]benzoxepine substituted by geminal methyl groups at position 3, a single methyl group at position 5 and hydroxy groups at positions 6 and 11. It is isolated from the roots of Bauhinia saccocalyx and exhibits antimycobacterial activity.
(E)-2-(((quinolin-8-ylmethylene)amino)oxy)butyl methanesulfonate
4-[(1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
[(3S)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate
A butan-4-olide that is (5-oxooxolan-3-yl)methyl phosphate carrying an additional 6-methylheptanoyl substituent at position 4.
1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-5-hydroxy-1,4,6-heptatriene-3-one
2,4,7-Triacetoxy-5-isopropyl-2,4,6-cycloheptatrien-1-one
N-(indole-3-acetyl)phenylalanine
An indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of phenylalanine.
3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Adenosine receptor antagonist 3
Adenosine receptor antagonist 3 is a potent antagonist of adenosine receptor. Adenosine receptor antagonist 3 has the potential for the research of cancer disease (extracted from patent WO2019233994A1, compound 1)[1].
VU0453595
VU0453595 is a highly selective, systemically active M1 positive allosteric modulator (PAM, EC50=2140?nM) for the research of schizophrenia[1][2].
5-[(7r)-6,7-dimethyl-2h,7h,8h-naphtho[2,3-d][1,3]dioxol-5-yl]-2h-1,3-benzodioxole
(11r)-11-hydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium
(1s,3ar,4s,6ar)-1,4-bis(4-hydroxyphenyl)-hexahydropentalene-2,5-dione
5-methyl-9-(3-methylbut-2-en-1-yl)-7-oxophenazine-1-carboxylic acid
4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-6-yl 4-hydroxybenzoate
(5z)-5-ethylidene-3-{1-[(5z)-5-ethylidene-2,4-dihydroxypyrrol-3-yl]-2,3-dihydroxypropyl}pyrrole-2,4-diol
(1s,12r,13s,16r,18r)-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.0¹,¹⁰.0³,⁸.0¹²,¹⁶]octadeca-3,5,7,10-tetraene-18-carbaldehyde
7-(1,2-dihydroxypropyl)-8-methyl-11h-indolizino[1,2-b]quinolin-9-one
(1s,8s,9s,18r)-6-methoxy-14-methyl-19-oxapentacyclo[14.2.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-2(7),3,5,10,12,14,16-heptaene-8,9-diol
6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydro-1h-cyclopenta[c]furan-3a-carboxylic acid
(2r,2'r,4r,4'r)-4,4'-dihydroxy-2h,2'h,3h,3'h,4h,4'h-[2,2'-binaphthalene]-1,1'-dione
[(2s)-2-[(3r,5s)-3-hydroxy-5-methoxy-2-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1h-pyrrole-2-carboxylate
(3ar,4s,6as)-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydro-1h-cyclopenta[c]furan-3a-carboxylic acid
methyl (1r,3r,4s,4as,9ar)-1,4,8-trihydroxy-3-methyl-9-oxo-2,3,4,9a-tetrahydro-1h-xanthene-4a-carboxylate
(2r,5'z)-5'-[(2-hydroxyphenyl)methylidene]-3h-spiro[1-benzofuran-2,2'-pyrazine]-3',6'-diol
6-methoxy-14-methyl-19-oxapentacyclo[14.2.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-2(7),3,5,10,12,14,16-heptaene-8,9-diol
(2s)-2-[(1-hydroxy-2-phenylethylidene)amino]-3-(1h-indol-3-yl)propanoic acid
3-hydroxy-4a-(5-hydroxy-2-imino-3,4-dihydroimidazol-4-yl)-2,6,8-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
1-(8-hydroxy-2,2-dimethylchromen-7-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
(2e)-1-[4-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
6-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-methylhept-2-enedioic acid
(1r,13r)-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-2(11),3,5,9,14,16,18-heptaen-17-ol
(2z)-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enimidic acid
2-(hydroxymethyl)-6-[(8-hydroxynaphthalen-1-yl)oxy]oxane-3,4,5-triol
2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-3a-(hydroxymethyl)-tetrahydrocyclopenta[c]furan-1-one
(2s)-2-(2-hydroxypropan-2-yl)-4-methyl-1h,2h-anthra[2,1-b]furan-6,11-dione
methyl (3e,5e)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
(2e)-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enimidic acid
4-ethenyl-7-hydroxy-8-methoxy-5,5a,10,11-tetrahydro-2,12-diazatetraphen-13-one
(1s,3r,4r,5s)-1,3,5-trihydroxy-4-{[(2e)-3-phenylprop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
5-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-1-benzofuran-2-yl}-2h-1,3-benzodioxole
1,2-dihydro-1-hydroxy-2-(1,2,3-trihydroxy-3-methylbutyl)-8h-furo[2,3h]-1-benzopyran-8-one,9ci
{"Ingredient_id": "HBIN000794","Ingredient_name": "1,2-dihydro-1-hydroxy-2-(1,2,3-trihydroxy-3-methylbutyl)-8h-furo[2,3h]-1-benzopyran-8-one,9ci","Alias": "NA","Ingredient_formula": "C16H18O7","Ingredient_Smile": "NA","Ingredient_weight": "322.314","OB_score": "NA","CAS_id": "149183-68-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9586","PubChem_id": "NA","DrugBank_id": "NA"}
(2r)-abyssinone i
{"Ingredient_id": "HBIN006538","Ingredient_name": "(2r)-abyssinone i","Alias": "NA","Ingredient_formula": "C20H18O4","Ingredient_Smile": "CC1(C=CC2=C(O1)C=CC(=C2)C3CC(=O)C4=C(O3)C=C(C=C4)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "50","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-[2-(cinnamoylamino)ethyl]-3-hydroxy-2-indolinone
{"Ingredient_id": "HBIN007038","Ingredient_name": "3-[2-(cinnamoylamino)ethyl]-3-hydroxy-2-indolinone","Alias": "NA","Ingredient_formula": "C19H18N2O3","Ingredient_Smile": "NA","Ingredient_weight": "322.36","OB_score": "NA","CAS_id": "79087-89-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8196","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer phenylphenalone pmv70p691-129
{"Ingredient_id": "HBIN016350","Ingredient_name": "anticancer phenylphenalone pmv70p691-129","Alias": "NA","Ingredient_formula": "C20H18O4","Ingredient_Smile": "COC1=CC=C(C=C1)C2=C3C(C(C(C4=CC=CC(=C43)C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1434","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
