Exact Mass: 302.1042
Exact Mass Matches: 302.1042
Found 500 metabolites which its exact mass value is equals to given mass value 302.1042,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cumyluron
Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
Odoratol
A member of the class of dihydrochalcones that is dihydrochalcone substituted by a hydroxy group at position 2, methoxy groups at positions 4 and 4 and a hydroxy group at position alpha- to the ketonic group.
Lotisoflavan
A hydroxyisoflavan that is isoflavan substituted by hydroxy groups at positions 2 and 4 and methoxy groups at positions 5 and 7 respectively.
(R)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan
(±)-3,7-Dihydroxy-2,4-dimethoxyisoflavan is found in common bean. (±)-3,7-Dihydroxy-2,4-dimethoxyisoflavan is isolated from Astragalus gummifer (tragacanth Isolated from Astragalus gummifer (tragacanth). (±)-3,7-Dihydroxy-2,4-dimethoxyisoflavan is found in common bean, yellow wax bean, and green bean.
Bicozamycin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D005765 - Gastrointestinal Agents > D000930 - Antidiarrheals C784 - Protein Synthesis Inhibitor D004791 - Enzyme Inhibitors
Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide
Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide, also known as BPDE or benzo(a)Pyrene diol epoxide, is classified as a member of the Pyrenes. Pyrenes are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system. Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide is considered to be practically insoluble (in water) and relatively neutral. It is a carcinogenic metabolite of benzo[a]pyrene (BaP) which forms adducts with DNA and proteins and is hydrolysed to BPDE tetrols. It is used as a marker for BaP exposure (a surrogate marker for PAHs). D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Dibenzo[a,l]pyrene
This compound belongs to the family of Benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. D009676 - Noxae > D002273 - Carcinogens
Terizidone
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
Isomucronulatol
Isomucronulatol is an ether and a member of flavonoids. Isomucronulatol is a natural product found in Gliricidia sepium, Wisteria brachybotrys, and other organisms with data available. Isolated from Glycyrrhiza glabra (licorice). Isomucronulatol is found in many foods, some of which are tea, yellow wax bean, green bean, and common bean. Isomucronulatol is found in common bean. Isomucronulatol is isolated from Glycyrrhiza glabra (licorice). Isomucronulatol is a flavonoid isolated from the roots of A. membranaceus. Isomucronulatol exhibits inhibitory effects on LPS-stimulated production IL-12 p40 in vitro and has potential anti-inflammatory effect[1]. Isomucronulatol is a flavonoid isolated from the roots of A. membranaceus. Isomucronulatol exhibits inhibitory effects on LPS-stimulated production IL-12 p40 in vitro and has potential anti-inflammatory effect[1].
(±)-Sphaerosin
Isolated from Lablab niger (hyacinth bean). (±)-Sphaerosin is found in many foods, some of which are hyacinth bean, yellow wax bean, pulses, and common bean. (±)-Sphaerosin is found in common bean. (±)-Sphaerosin is isolated from Lablab niger (hyacinth bean).
2',7-Dihydroxy-4',6-dimethoxyisoflavan
2,7-Dihydroxy-4,6-dimethoxyisoflavan is found in pulses. 2,7-Dihydroxy-4,6-dimethoxyisoflavan is isolated from cultures of Fusarium solani growing on Pisum sativum (pea). Isolated from cultures of Fusarium solani growing on Pisum sativum (pea). 2,7-Dihydroxy-4,6-dimethoxyisoflavan is found in pulses and common pea.
9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one
9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one is found in fruits. 9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one is a constituent of Musa acuminata (dwarf banana) Constituent of Musa acuminata (dwarf banana). 9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one is found in fruits.
2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one
2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one is found in fruits. 2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one is a constituent of the rhizomes of Musa acuminata (dwarf banana). Constituent of the rhizomes of Musa acuminata (dwarf banana). 2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one is found in fruits.
3'-Hydroxy-3,4,5,4'-tetramethoxystilbene
3-Hydroxy-3,4,5,4-tetramethoxystilbene is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Terizidone
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
indole-3-acetyl-glutamate
Indole-3-acetyl-glutamate is also known as iaa-glu or N-(indol-3-ylacetyl)glutamic acid(2-). Indole-3-acetyl-glutamate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-glutamate can be found in a number of food items such as broccoli, cornmint, banana, and rapini, which makes indole-3-acetyl-glutamate a potential biomarker for the consumption of these food products.
indole-3-acetyl-glutamine
Indole-3-acetyl-glutamine, also known as n(2)-(1h-indol-3-ylacetyl)glutaminate or iaa-gln, belongs to glutamine and derivatives class of compounds. Those are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Indole-3-acetyl-glutamine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-glutamine can be found in a number of food items such as yellow wax bean, rapini, borage, and fireweed, which makes indole-3-acetyl-glutamine a potential biomarker for the consumption of these food products.
Gutenbergin
4,7-Dihydorxy-2,3,6-trimethoxy-9,10-dihydrophenanthrene
2,7-Dihydroxy-3,4,6-trimethoxy-9,10-dihydrophenanthrene
6,7-Dihydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene
2-Formyl-5-(4-methoxybenzoyloxy)-3-methyl-2-cyclopentene-1-acetaldehyde
3,6-Dihydroxy-2,4,7-trimethoxy-9,10-Dihydropenanthrene
2,6-Dihydroxy-1,5,7-trimethoxy-9,10-dihydrophenanthrene
2,7-Dihydroxy-1,3,5-trimethoxy-9,10-dihydrophenanthrene
4-Hydroxy-3,3-dimethoxy-4,5-methylenedioxybibenzyl
5,6-Dihydroxy-1,3,4-trimethoxy-9,10-dihydrophenanthrene
2,6-Dihydroxy-3,4,7-trimethoxy-9,10-dihydrophenanthrene
Irazunolide
2,4-Dihydroxy-4,6-dimethoxydihydrochalcone
4,2,6-Trihydroxy-4-methoxy-3-methyldihydrochalcone
4,4-Dihydroxy-2,6-dimethoxydihydrochalcone
4,4-Dihydroxy-2,6-dimethoxydihydrochalcone is a natural product found in Soymida febrifuga and Dracaena cochinchinensis with data available.
2-Isopropenyl-4-methylanthra[2,3-b]furan-5,10-dione
Isomucronulatol
Isomucronulatol is a flavonoid isolated from the roots of A. membranaceus. Isomucronulatol exhibits inhibitory effects on LPS-stimulated production IL-12 p40 in vitro and has potential anti-inflammatory effect[1]. Isomucronulatol is a flavonoid isolated from the roots of A. membranaceus. Isomucronulatol exhibits inhibitory effects on LPS-stimulated production IL-12 p40 in vitro and has potential anti-inflammatory effect[1].
2-Hydroxy-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
2-[4-(2-aminophenyl)sulfanylbut-2-enylsulfanyl]aniline
1-(2,4-dihydroxyphenyl)-3-(2-methoxy-4,5-methylenedioxyphenyl)-propane|2-Me,4,5-methylene ether-1-(2,4-Dihydroxyphenyl)-3-(2,4,5-trihydroxyphenyl)propane
3,8,9-trihydroxy-6-methoxy-3,7-dimethyl-2,4-dihydroanthracen-1-one
2-hydroxy-4beta-methyl-4alpha-(beta-D-glucopyranoside)-2,5-cyclohexadien-1-one
(2E)-cyclopent-2-en-1-ylidene((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)acetic acid|edulilic acid
phoyunbene A|trans-3,3-dihydroxy-2,4,5-trimethoxystilbene
(2R,3S,4S)-2,3-trans-3,4-cis-7,4-dimethoxy-3,4-flavandiol|4.7-Dimethoxy-2.3-trans-flavan-3.4-cis-diol
3-Deoxy-4-O-methylsappanol
3-Deoxy-4-O-methylsappanol is a natural product found in Biancaea decapetala and Biancaea sappan with data available.
3,6,7-trimethoxy-9,10-dihydrophenanthrene-2,5-diol
9,10-Dihydro-3,4,6-trimethoxy-2,7-phenanthrenediol
2-methylphloroglucinol-O-beta-D-glucopyranoside|eucalmainoside A
3,9-dimethoxypterocarpan-6a-ol|6a-hydroxy-3,9-dimethoxypterocarpan
[3-formyl-4-methyl-2-(2-oxoethyl)cyclopent-3-en-1-yl] 4-methoxybenzoate
phoyunbene B|trans-3,4-dihydroxy-2,3,5-trimethoxystilbene
2-(4-Hydroxyphenyl)-4-(3,4-dihydroxyphenyl)tetrahydro-2H-pyran-5-ol
(1RS,2RS,3SR,4RS)-3,4,7-Tri-Ac-1-(Hydroxymethy)-5-cyclohexene-1,2,3,4-tetrol
9,10-Dihydro-2,4,7-trimethoxy-3,6-phenanthrenediol
2,4-dihydroxy-6-methylphenyl beta-D-glucopyranoside|6-O-degalloylmyrsinoside A|myrsinoside B
4-hydroxymethyl-2-methyl-3-furanylcarbonyl alpha-L-rhamnopyranoside
1,5,7-trimethoxy-9,10-dihydrophenanthrene-2,6-diol
9,10-dihydro-2,7-dihydroxy-1,3,5-trimethoxyphenanthrene
(2R,3R,4S,5S)-2,4-bis(4-hydroxyphenyl)-3,5-dihydroxy-tetrahydropyran|taxodascendin
1,2,3,4-tetrahydro-3alpha-hydroxy-5,6-dimethoxy-2beta-methylanthracene-9,10-dione|psiconnatanone B
Griffithane D
A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone which has been substituted by a methoxy group at position 5 and a 3-(4-hydroxy-3-methoxyphenyl)propyl group at position 2. It has been isolated from the stems of Combretum griffithii and has been shown to exhibit anticancer activity.
2,3,3-Trimethyl-6-methoxy-7-hydroxy-9-methyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione
2-hydroxy-3,3-dimethoxy-4,5-methylenedioxybibenzyl|gastrochilin
3-hydroxy-2,5-dimethylphenyl 2,4-dihydroxy-3,6-dimethylbenzoate
(2S)-6,4-dihydroxy-7,3-dimethoxyflavan|griffinoid B
(1S,5S,8S)-5-hydroxy-8-(3-hydroxy-4-methoxyphenyl)-1-methylbicyclo[3.3.1]non-3-ene-2,9-dione|tazettone B
(2S)-3,4-dihydroxy-6,7-dimethoxyflavan|griffinoid C
rel-(5R,6S,7R)-5,6,7,8-tetrahydro-5,6,7-trihydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one
2,5-dihydroxy-3,4,6-trimethoxy-9,10-dihydrophenanthrene
3,3-dimethoxy-4,5-methylenedioxy-4-hydroxybibenzyl
9,10-dihydro-5,6,8-trimethoxy-3,4-phenanthrenediol
7,8,8a,9-tetrahydro-8-h ydroxy-5-(hydroxymethyl)-2-methoxy-8a-methyl-1 ,4-anthracenedione
9,10-Dihydro-3,4,7-trimethoxy-2,6-phenanthrenediol
2,3-dihydro-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3-methylbenzofuran
8,9-dimethoxy-7-methyl-10,11-dihydrodibenzo[b,f]oxepine-1,6-diol
2,3,6-trimethoxy-9,10-dihydrophenanthrene-4,5-diol
BAUHINOXEPIN F
A dibenzooxepine that is 10,11-dihydrodibenzo[b,f]oxepine substituted by methoxy groups at positions 6 and 9, methyl group at position 7 and hydroxy groups at positions 1 and 8 respectively. It is isolated from the root extract of Bauhinia purpurea and exhibits antimalarial, antimycobacterial, antifungal, anti-inflammatory and cytotoxic activities.
3,4,5-Trimethyl-4-hydroxy-7,8-dimethoxynaphtho[2,3-b]furan-9(4H)-one
3,4,5-Trimethyl-5-hydroxy-7,9-dimethoxynaphtho[2,3-b]furan-8(5H)-one
(R)-Isomucronulatol
(R)-Isomucronulatol is a natural product found in Astragalus mongholicus, Oxytropis falcata, and other organisms with data available.
2-methylidene-3-(6-oxalooxyhexyl)butanedioic acid
3-[(2,6-dihydroxy-3,4-dimethylphenyl)methyl]-2,4-dihydroxy-6-methylbenzaldehyde
1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one
1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one
3-[(2,6-dihydroxy-3,4-dimethylphenyl)methyl]-2,4-dihydroxy-6-methylbenzaldehyde
2-(3-hydroxy-5-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
3-[(2,6-dihydroxy-3,4-dimethylphenyl)methyl]-2,4-dihydroxy-6-methylbenzaldehyde [IIN-based: Match]
2-(3-hydroxy-5-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol_major
1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one_major
3'-Hydroxy-3,4,5,4'-tetramethoxystilbene
1-(2,4-Dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)-1-propanone
Mucronulatol
A methoxyisoflavan that is (S)-isoflavan substituted by methoxy groups at positions 2 and 4 and hydroxy groups at positions 7 and 3 respectively.
Florantyrone
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
N-(2-CHLORO-4-METHYLPYRIDIN-3-YL)-2-(CYCLOPROPYLAMINO)NICOTINAMIDE
2-O-(2-Methoxyethyl)uridine
2'-O-(2-Methoxyethyl)-uridine is a synthetic oligonucleotide conversed from uridine. 2'-O-(2-Methoxyethyl)-uridine has the potential for chemotherapeutic agents development[1].
methanesulfonic acid,4-phenylmethoxycyclohexan-1-ol
N-[(2,5-dihydroxyphenyl)-(3-nitrophenyl)methyl]acetamide
3-(2-HYDROXY-ETHOXYMETHYL)-2,5,9-TRIMETHYL-FURO[3,2-G]CHROMEN-7-ONE
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
1-ETHYNYL-4-((4-(PHENYLETHYNYL)PHENYL)ETHYNYL)BENZENE
2-Chloro-1-(8-methyl-1,2,3a,4,5,6-hexahydro-pyrazino[3,2,1-jk]carbazol-3-yl)-ethanone
(S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine
2-(4-Hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetic acid
2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine
furan-2,5-dione,methyl 2-methylprop-2-enoate,styrene
(S)-5-AMINO-2-(((BENZYLOXY)CARBONYL)AMINO)PENTANOIC ACID HYDROCHLORIDE
1,3,4-Oxadiazole,2-(4-methoxyphenyl)-5-(2-naphthalenyl)-
ethyl (E)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
proxicromil
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
1-Butyl-2,3-Dimethylimidazolium Trifluoromethanesulfonate
1-butyl-3-methylimidazolium trifluoromethanesulfonate
1-pentyl-3-methylimidazolium trifluoromethanesulfonate
(2S,5S)-3-Methyl-2-phenyl-5-(phenylMethyl)-4-IMidazolidinone hydrochloride
1-[4-(2-Chloroethoxy)phenyl]-2-ethyl-2-phenylethanone
1(2H)-NAPHTHALENONE,4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-,OXIME
Phenol,4-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-
4-[(6-Phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
Flurbiprofen sodium
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Phoyunbene B
A stilbenoid that is trans-stilbene substituted by hydroxy groups at positions 3 and 4 and methoxy groups at positions 2, 3 and 5. Isolated from Pholidota yunnanensis, it exhibits inhibitory effects on production of nitric oxide.
(2S,3S)-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol
sequirin C
A norlignan that is a derivative of agatharesinol in which the aromatic ring B has an additional hydroxy substituent ortho to the one present in the parent compound.
Pterolinus G
A member of the class of hydroquinones that is benzene-1,4-diol substituted by a methoxy group at position 5 and a prop-en-1-yl group at position 2 which in turn is substituted by a 3-hydroxy-4-methoxyphenyl group at position 1. It has been isolated from Pterocarpus santalinus.
4-(dimethylamino)benzaldehyde N-(2-furylmethyl)thiosemicarbazone
2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
2-{[(E)-(4-methoxyphenyl)methylidene]amino}-5-phenyl-3-furonitrile
2-((3,5-Dimethoxy-4-hydroxyphenyl)azo)benzoic acid
4-amino-1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-2-ium
Glucopyranoside, 4-hydroxy-2-methoxyphenyl, beta-D-(8CI); 4-Hydroxy-2-methoxyphenyl beta-D-glucopyranoside
Phoyunbene A
A stilbenoid that is trans-stilbene substituted by hydroxy groups at positions 3 and 3 and methoxy groups at positions 2, 4 and 5. Isolated from Pholidota yunnanensis, it exhibits inhibitory effects on production of nitric oxide.
Hydroxysugiresinol
A norlignan that is a derivative of sugiresinol in which the aromatic ring B has an additional hydroxy substituent.
N-(3-fluorobenzylidene)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
5-(4-Methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
N-(2-fluorobenzylidene)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
(3S,4R)-4 hydroxy-6,3 dimethoxyisoflavan-4-ol
A methoxyisoflavan that is (S)-isoflavan substituted by methoxy groups at positions 6 and 3 and hydroxy groups at positions 4 and 4. It has been isolated from Taxus yunnanensis and exhibits inhibitory activity against CYP3A4.
6-(3-furanyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
N-[5-[(4-methylphenyl)methyl]-2-thiazolyl]-2-oxolanecarboxamide
2-[(3,4,8-Trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester
2-Hydroxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester
1-methyl-N-(2-naphthalenyl)-5-benzotriazolecarboxamide
3-Methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde oxime
(allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onate
5-Hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrouro[2,3-h]chromen-2-one
2-(4-ethyl-3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-4,7-diol
Benzo(a)pyrene diol epoxide
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
4-hydroxy-2-methoxyphenyl 1-O-beta-D-glucopyranoside
A monosaccharide derivative that consists of 2-methoxybenzene-1,4-diol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. It is isolated from Acacia mearnsii.
N-(indole-3-acetyl)glutamate(2-)
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of N-(indole-3-acetyl)glutamic acid.
N-(indol-3-ylacetyl)glutaminate
A monocarboxylic acid anion that is the conjugate base of N-(indol-3-ylacetyl)glutamine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
SB-200646A
SB-200646A is the first selective 5-HT2B/2C over 5-HT2A receptor antagonist with pKi values of 7.5, 6.9 and 5.2 for 5-HT2B, 5-HT2C and 5-HT2A, respectively. SB-200646A is orally active and has electrophysiological and anxiolytic properties in vivo[1][2].
(3s,4r)-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3,4-dihydro-2h-1-benzopyran-4-ol
(4r)-2-hydroxy-4-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-2,5-dien-1-one
10-(2-hydroxypropan-2-yl)-7-methyl-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),5,7,9-tetraen-11-yl acetate
(3s)-3-(2-hydroxy-4,5-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
(2s,3r,4s,5s,6r)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(3s)-3-(2-hydroxy-4-methoxyphenyl)-8-methoxy-3,4-dihydro-2h-1-benzopyran-7-ol
(2s)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-6-ol
(3r,4s)-3-(4-hydroxyphenyl)-6,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-4-ol
(3r)-3-[(4-hydroxyphenyl)methoxy]-8-methoxy-3,4-dihydro-2h-1-benzopyran-7-ol
(4s,4ar,9ar)-3,5,8-trimethyl-2,7-dioxo-4h,4ah,9h,9ah-azuleno[6,5-b]furan-4-yl acetate
(3r,4s)-7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-4,6-diol
4-[5-hydroxy-2-(4-hydroxyphenyl)oxan-4-yl]benzene-1,2-diol
8-hydroxy-6-(1-hydroxy-4-methylpent-3-en-1-yl)-5-methoxynaphthalene-1,4-dione
(1r,10r)-3,8-dimethyl-13-oxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-2(6),3,8,12(15)-tetraen-10-yl acetate
(3r)-3-(2-hydroxy-4,5-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3,4-dihydro-2h-1-benzopyran-4-ol
(2s)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-5-ol
(1s,2r)-3-formyl-4-methyl-2-(2-oxoethyl)cyclopent-3-en-1-yl 4-methoxybenzoate
(2s,3r,4s,5s,6r)-2-[2-hydroxy-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
6-hydroxy-7-methoxy-2,3,3,9-tetramethyl-2h-naphtho[1,2-b]furan-4,5-dione
3-[2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2,6-dimethoxyphenol
(3s)-3-(4-hydroxy-2,3-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
4-[(2s)-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzene-1,2-diol
(3r)-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
1-(2-hydroxy-4-methoxyphenyl)-3-(3,4-methyl-enedioxyphenyl)propan-2-ol
{"Ingredient_id": "HBIN000867","Ingredient_name": "1-(2-hydroxy-4-methoxyphenyl)-3-(3,4-methyl-enedioxyphenyl)propan-2-ol","Alias": "NA","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1=CC(=C(C=C1)CC(CC2=CC3=C(C=C2)OCO3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10446","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-Methoxybenzyl-2,6-dimethoxybenzoate
{"Ingredient_id": "HBIN005905","Ingredient_name": "2-Methoxybenzyl-2,6-dimethoxybenzoate","Alias": "2-methoxybenzyl-2,6-dimethoxybenzoate; 2,6-dimethoxybenzoic acid (2-methoxybenzyl) ester; ZINC07184140; 2,6-dimethoxybenzoic acid (2-methoxyphenyl)methyl ester; (2-methoxyphenyl)methyl 2,6-dimethoxybenzoate","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC=CC=C2OC","Ingredient_weight": "302.32","OB_score": "85.96466993","CAS_id": "81532-10-7","SymMap_id": "SMIT00960","TCMID_id": "13846","TCMSP_id": "MOL012161","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3′-deoxy-4-O-methylepisappanol
{"Ingredient_id": "HBIN008426","Ingredient_name": "3\u2032-deoxy-4-O-methylepisappanol","Alias": "NA","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1C2=C(C=C(C=C2)O)OCC1(CC3=CC=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38849","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3R)-5'-Methoxyvestitol
{"Ingredient_id": "HBIN009537","Ingredient_name": "(3R)-5'-Methoxyvestitol","Alias": "(3R)-3-(2-hydroxy-4,5-dimethoxyphenyl)chroman-7-ol; (3R)-3-(2-hydroxy-4,5-dimethoxyphenyl)-7-chromanol; (3r)-5'-methoxyvestitol; (3R)-3-(2-hydroxy-4,5-dimethoxy-phenyl)chroman-7-ol","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1=C(C=C(C(=C1)C2CC3=C(C=C(C=C3)O)OC2)O)OC","Ingredient_weight": "302.32 g/mol","OB_score": "83.057719","CAS_id": "NA","SymMap_id": "SMIT05088","TCMID_id": "14096","TCMSP_id": "MOL002939","TCM_ID_id": "NA","PubChem_id": "5319496","DrugBank_id": "NA"}
4-hydroxy-3-methoxyphenolβ-d-glucopyranoside
{"Ingredient_id": "HBIN010479","Ingredient_name": "4-hydroxy-3-methoxyphenol\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C13H18O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15878","TCMID_id": "10431","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
α-2'-dihydroxy-4,4'-dimethoxydihydrochalcone
{"Ingredient_id": "HBIN015326","Ingredient_name": "\u03b1-2'-dihydroxy-4,4'-dimethoxydihydrochalcone","Alias": "NA","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1=CC=C(C=C1)CC(C(=O)C2=C(C=C(C=C2)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5821","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer phenylphenalone pmv70p691-130
{"Ingredient_id": "HBIN016351","Ingredient_name": "anticancer phenylphenalone pmv70p691-130","Alias": "NA","Ingredient_formula": "C20H14O3","Ingredient_Smile": "COC1=CC2=CC=CC3=C2C(=C(C=C3)C4=CC=C(C=C4)O)C1=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1435","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
