Exact Mass: 400.092
Exact Mass Matches: 400.092
Found 447 metabolites which its exact mass value is equals to given mass value 400.092
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
4'-Demethylepipodophyllotoxin
4-demethylepipodophyllotoxin is an organic heterotetracyclic compound that is the 9- epimer of 4-demethylpodophyllotoxin. It has a role as an antineoplastic agent. It is a furonaphthodioxole, an organic heterotetracyclic compound and a member of phenols. An organic heterotetracyclic compound that is the 9- epimer of 4-demethylpodophyllotoxin. 4'-Demethylepipodophyllotoxin (4'-DMEP) is an intermediate compound that inhibits microtubule assembly. 4'-Demethylepipodophyllotoxin (4'-DMEP) is an intermediate compound that inhibits microtubule assembly.
alpha-Peltatin
An organic heterotetracyclic compound that is 4-demethylpodophyllotoxin which is substituted by a hydroxy group at position 10 but which is lacking the hydroxy group at position 9. It is found as a glucoside in the rhizomes of Podophyllum peltatum. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.898 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.899 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.887 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.886
Flavonol 3-O-D-galactoside
4-Demethylpodophyllotoxin
4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2]. 4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2].
4-(5,6,7,8-Tetramethoxy-4-oxo-4H-chromen-2-yl)phenyl acetate
Versiconal hemiacetal acetate
An anthrafuran that is 2,3-dihydroanthra[2,3-b]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 2-acetoxyethyl group. An intermediate in the biosynthesis of aflatoxin.
Zuclopenthixol
Zuclopenthixol is only found in individuals that have used or taken this drug. It is a thioxanthene with therapeutic actions similar to the phenothiazine antipsychotics. It is an antagonist at D1 and D2 dopamine receptors. [PubChem]Zuclopenthixol is a typical antipsychotic neuroleptic drug of the thioxanthene group. It mainly acts by antagonism of D1 and D2 dopamine receptors. Zuclopenthixol also has high affinity for alpha1-adrenergic and 5-HT2 receptors. It has weaker histamine H1 receptor blocking activity, and even lower affinity for muscarinic cholinergic and alpha2-adrenergic receptors. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AF - Thioxanthene derivatives 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 Zuclopenthixol ((Z)-Clopenthixol) is a thioxanthene derivative which acts as a mixed dopamine D1/D2 receptor antagonist[1][2].
Theaflagallin
Red pigment from black tea (Camellia sinensis variety assamica). Theaflagallin is found in tea. Epitheaflagallin is found in tea. Epitheaflagallin is a pigment from black tea.
5-Hydroxyflavone
5-Hydroxyflavone is found in pulses. 5-Hydroxyflavone is a constituent of Medicago sativa. Constituent of Medicago sativa. 5-Hydroxyflavone is found in pulses.
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide
5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide
5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
Sinapinic acid-O-glucuronide isomer
Sinapinic acid-O-glucuronide isomer is a conjugate of Sinapinic acid and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
Sinapic acid 4-O-glucuronide
Sinapic acid 4-O-glucuronide is an endogenous phenolic acid metabolite. Sinapic acid 4-O-glucuronide was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).
Sinapic acid glucuronide
Aglycone C
4'-Demethylepipodophyllotoxin
Cbmida
Flavonol 3-O-D-glucoside
1H-Pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent MKC-1 (Ro-31-7453) is an orally active and potent cell cycle inhibitor with broad antitumor activity. MKC-1 inhibits the Akt/mTOR pathway. MKC-1 arrests cellular mitosis and induces cell apoptosis by binding to a number of different cellular proteins including tubulin and members of the importin β family[1][2][3].
Nicousamide Pyrotinib Maleate
TRICIRIBINE PHOSPHATE
7N5E50463V
4-demethylpodophyllotoxin is an organic heterotetracyclic compound that is podophyllotoxin in which the methyl ether group at position 4 of the trimethoxyphenyl group has been cleaved to afford the corresponding phenol. It has a role as a metabolite. It is a furonaphthodioxole, an organic heterotetracyclic compound and a member of phenols. 4-Demethylpodophyllotoxin is a natural product found in Diphylleia grayi, Podophyllum peltatum, and other organisms with data available. An organic heterotetracyclic compound that is podophyllotoxin in which the methyl ether group at position 4 of the trimethoxyphenyl group has been cleaved to afford the corresponding phenol. 4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2]. 4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2].
Stemonacetal
Paeciloquinone B
Torosaflavone A
3-O-beta-Glucopyranosyl plumbagic acid methyl ester
Piscerisoflavone B
(-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone
6-Hydroxy-4-methoxyflavone 6-O-alpha-L-arabinopyranoside
3,5,7,4-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone
3,5,7,4-Tetrahydroxy-8-methoxyflavanone 3-angelate
Thymusin 6-isobutyrate
3,5,8-Trimethoxy-6,7:3,4-bis(methylenedioxy)flavone
3,5,3-Trimethoxy-6,7:4,5-bis(methylenedioxy)flavone
[3,4,5-triacetyloxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl Acetate
5-hydroxy-6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
2-[(2,3-di-O-acetyl-beta-D-glucopyranosyl)oxy]-6-hydroxybenzoic acid
2,2-diamino-7,8,5,6,7,8-hexahydro-3H,3H-6,6-(3-hydroxy-2-oxo-propan-1-yl-1-ylidene)-bis-pteridin-4-one|Neodrosopterin
4beta-(chloromethyl)-3beta,4alpha-dihydroxy,8alpha-[(S)-3-hydroxy-2-methylpropionyloxy]-1alphaH,5alphaH,6betaH,7alphaH-guaia-10(14),11(13)-dien-6,12-olide
7,10-Di-Me ether-3,7,9,10-Tetrahyedroxypterocarpan
1,2,8-triacetoxy-6-methoxy-xanthen-9-one|1,7,8-Triacetoxy-3-methoxyxanthon|gentiakochianin acetate
uvarirufone A|{(1S,2S,3R,4R)-1,2,4-trihydroxy-6-oxo-3-[(benzoyl)oxy]cyclohexyl}methyl benzoate
3-deoxy-7-O-alpha-D-galactopyranosyl-D-manno-2-octulopyranosonate
Regaloside D
5-acetoxy-3,3,4,5-tetramethoxyflavone|5-Acetoxy-3-methoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-on|5-acetoxy-3-methoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one
(-)-(1S*,2S*,3R*,4R*,5R*,6R*)-3-O-benzoyl-1-benzoyloxymethyl-1,6-epoxycyclohexane-2,3,4,5-tetrol|(-)-rotepoxide A
(-)-(1S*,2S*,3S*,4S*,5R*,6R*)-4-O-benzoyl-1-benzoyloxymethyl-1,6-epoxycyclohexane-2,3,4,5-tetrol|(-)-rotepoxide B
4-O-beta-D-glucopyranosylsinapic acid methyl ester
(3S,4S)-4-[(7-hydroxy-1,3-benzodioxol-5-yl)(7-methoxy-1,3-benzodioxol-5-yl)-methyl]-3-methyldihydrofuran-2(3H)-one|peperomin H
3,8,9,10,11-Pentamethoxy-5,7-dihydro[2]benzopyrano[4,3-b][1]benzopyran-7-one
7R,7S,8S,8R-8-hydroxy-6-methoxy-3,4:3,4-bis(methylenedioxy)-7,9:7,9-diepoxylignan|palatiferin A
Regaloside H
Regaloside H is a natural product found in Lilium auratum, Lilium pensylvanicum, and Lilium mackliniae with data available. Regaloside H, a phenylpropanoid glycerol glucoside, is a gluconeogenesis inhibitor. Regaloside H can reduce glucose production in Hepatocytes[1].
3,3-bis-(1,1-dimethyl-2,2-dioxo-4,4-dimethoxy-5,5-dihydroxy-5,5-dimethoxycarbonyl-3-pyrroline)
(10R*,11S*)-11-bromo-10-hydroxychromomoric acid F methyl ester
Regaloside A
Regaloside A is a natural product found in Lilium tenuifolium, Lilium auratum, and other organisms with data available. Regaloside A, a phenylpropanoid, shows significant DPPH radical scavenging activity of 58.0\\% at 160 ppm. Regaloside A has anti-inflammatory activity[1]. Regaloside A, a phenylpropanoid, shows significant DPPH radical scavenging activity of 58.0\% at 160 ppm. Regaloside A has anti-inflammatory activity[1].
5-hydroxy-6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
C18H21ClO8_1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,5,8,9,10-hexahydro-5,8,9,14,16-pentahydroxy-3-methyl-, (6E)
4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
3,8-dihydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6,8,10,14-hexaen-5-one
Zuclopenthixol
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AF - Thioxanthene derivatives 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 Zuclopenthixol ((Z)-Clopenthixol) is a thioxanthene derivative which acts as a mixed dopamine D1/D2 receptor antagonist[1][2].
4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based: Match]
4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000845720]
5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000847323]
5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based: Match]
4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one_major
3,8-dihydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6,8,10,14-hexaen-5-one_major
3,8-dihydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.0²,¹?.0?,¹³.0?,¹¹]henicosa-2,4(13),6,8,10,14-hexaen-5-one
4-Demethylepipodophyllotoxin
4'-Demethylepipodophyllotoxin (4'-DMEP) is an intermediate compound that inhibits microtubule assembly. 4'-Demethylepipodophyllotoxin (4'-DMEP) is an intermediate compound that inhibits microtubule assembly.
Elesclomol
C274 - Antineoplastic Agent > C177298 - Mitochondrial Targeting Antineoplastic Agent
Theaflagallin
5-Hydroxy-6,8-dimethoxy-2-oxo-2H-chromen-7-yl ?-D-glucopyranoside
ethyl 2-[[4-bromo-3-(phenylmethoxycarbonylamino)butanoyl]amino]acetate
Thiazolidine, 3-(1-naphthalenylsulfonyl)-2-(3-nitrophenyl)- (9CI)
2-(3-(benzo[d]thiazol-2-yl)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid
N-(4-((4-CHLORO-6-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)PYRIMIDIN-2-YL)THIO)PHENYL)CYCLOPROPANECARBOXAMIDE
3,5-bis[(4-azidophenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid
Urea, N-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]- (9CI)
1-Naphthalenesulfonicacid, 5-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
5-NITRO-2-(4-(5-NITRO-1H-BENZO[D]IMIDAZOL-2-YL)PHENYL)-1H-BENZO[D]IMIDAZOLE
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
6-fluoro-1-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
5-IODO-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE
(6-hydroxy-3-oxospiro[2-benzofuran-1,9-xanthene]-3-yl) 2-methylprop-2-enoate
3-IODO-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE
Rosabulin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
5,6-DIAMINO-2,4-DIHYDROXYPYRIMIDINE SULFATE DIHYDRATE
TRICIRIBINE PHOSPHATE
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2087 - Inosine Monophosphate Dehydrogenase Inhibitor C471 - Enzyme Inhibitor > C2254 - Amidophosphoribosyltransferase Inhibitor
METHYL 4-(4-[(4-METHOXYBENZOYL)AMINO]-3-NITROPHENYL)-3-METHYL-4-OXOBUTANOATE
sodium 2-[(2-hydroxynaphthyl)azo]naphthalenesulphonate
3(or5)-[[4-[benzylmethylamino]phenyl]azo]-1,2(or1,4)-dimethyl-1H-1,2,4-triazolium bromide
ETHYL 3-(2-(CHLOROMETHYL)-1-METHYL-N-(PYRIDIN-2-YL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDO)PROPANOATE
N-(2,2-DIMETHOXYETHYL)-6-(5-(PHENYLTHIO)THIOPHEN-2-YL)NICOTINAMIDE
8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
Sordinol
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AF - Thioxanthene derivatives 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
Benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
Purpurquinone C
An azaphilone that is 1H-isochromene-6,8(7H,8aH)-dione substituted by a prop-1-en-1-yl group at position 3, a hydroxy group at position 8a, a methyl group at position 7 and a (2,4-dihydroxy-6-methylbenzoyl)oxy group at position 7. It has been isolated from Penicillium purpurogenum.
1-(1,5-Dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4-methylphenyl)sulfonylurea
2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
2-chloro-1-{5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl}ethan-1-one
4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(1,1-dioxo-3-thiolanyl)butanamide
2-(6-bromo-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide
2-[[3-(4-methoxyphenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide
1-Methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1h-indole-2,3-dione
3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)propanoic acid
(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
AIDS-006790
4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2]. 4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2].
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide
5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide
5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
3,8-Dihydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaen-5-one
4-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
Oxacillin(1-)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
grixazone A(1-)
An L-alpha-amino-acid anion that is the conjugate base of grixazone A, obtained by deprotonation of the carboxy group.
9,10-Anthracenedione, 2-(3-(acetyloxy)-1-(hydroxymethyl)propyl)-1,3,6,8-tetrahydroxy-, (-)-
N-[2-(carboxylatoamino)-1,2-bis(1H-indol-3-yl)ethyl]carbamate
Methyl(5-adenosyl)(3-hydroxy-3-carboxylatopropyl)sulfonium
[1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-3-yl]methylcarbamodithioic acid
[(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-1(12)-en-6-yl] hydrogen sulfate
S-[2-[3-[[(2R)-2-hydroxy-4-methyl-4-phosphonooxypentanoyl]amino]propanoylamino]ethyl] ethanethioate
2,3,4,6-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-5-one
2,6-Bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
4-[ethyl-(phenylmethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxamide
5-[(5-Bromo-2-hydroxyphenyl)-oxomethyl]-1-cyclohexyl-2-oxo-3-pyridinecarbonitrile
3-[(2-chlorophenyl)methyl]-7-oxo-N-(thiophen-2-ylmethyl)-2H-triazolo[4,5-d]pyrimidine-5-carboxamide
4-[[2-[[5-(3-Methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid
N-ethyl-N-[2-[(5-nitro-8-quinolinyl)amino]ethyl]benzenesulfonamide
3-[(4-Chlorophenyl)sulfonylamino]propanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-furanylmethyl)benzamide
1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (3-bromophenyl)methyl ester
ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate
4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
N-[4-chloro-2-[(2,4-dimethoxyanilino)-oxomethyl]phenyl]-2-furancarboxamide
1-[5-Hydroxy-8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-4-yl]propyl hydrogen sulate
2-phenyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
3,4,5-Trihydroxy-6-[5-(4-hydroxy-3-methoxyphenyl)pentanoyloxy]oxane-2-carboxylic acid
1-[5-Hydroxy-8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-4-yl]propan-2-yl hydrogen sulate
3,4,5-trihydroxy-6-[3-[(E)-3-phenylprop-2-enoyl]phenoxy]oxane-2-carboxylic acid
(E,5S)-4,5-dihydroxy-1-(4-hydroxyphenyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhex-1-en-3-one
3-Acetyl-4,4a,6,7,9,12a-hexahydroxy-1,12-dihydrotetracene-2,5-dione
Anti-5,8,13,16-tetrafluoro-4,6,12,14-tetramethoxy(2.2)metacyclophane
Isoflavone 7-O-beta-D-glucoside
A glycosyloxyisoflavone that is 7-hydroxyisoflavone attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
(2S,3S)-versiconal hemiacetal acetate
An optically active form of versiconal hemiacetal acetate having 2S,3S-configuration.
(5S,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide
5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide
MRK-898
MRK-898 is an orally active GABA(A) receptor modulator. MRK-898 binds to α1, α2, α3 or α5 subunit of GABA(A) receptor with Ki values of 1.2 nM, 1.0 nM, 0.73 nM, and 0.50 nM, respectively. However, α1-containing GABA(A) receptors are identified as the "sedative" and α2- and/or α3-containing receptors as the "anxiolytic" subtype(s)[1].
6-(4,5-dihydroxy-6-methyloxan-2-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
(3s)-3,5,7-trihydroxy-3-[(2s)-2-(hydroxymethyl)-5-methoxy-2-methylchromen-6-yl]-2h-1-benzopyran-4-one
2-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
3,5-dihydroxy-2,10-diphenyl-9h,10h-pyrano[2,3-h]chromene-4,8-dione
methyl 6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenazine-1-carboxylate
(1r,2r,3s,4s,5s,6s)-1-[(benzoyloxy)methyl]-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-3-yl benzoate
2-{[(2s,3r,4s,5r,6r)-3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxybenzoic acid
4,13,14-trihydroxy-5-methoxy-10-methyl-15-(2-oxopropyl)-11,18-dioxatetracyclo[8.7.1.0²,⁸.0¹²,¹⁷]octadeca-2(8),4,6,12(17),13,15-hexaen-3-one
(5r)-5-[(2r,3r)-2,3-dihydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butyl]-3-methyl-5h-furan-2-one
(3e)-7,8-dihydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-(hydroxymethyl)-tetrahydro-4ah-pyrano[3,2-b][1,4]oxathiin-2-one
(3s,3ar,4r,8r,11ar)-8-(acetyloxy)-3-(chloromethyl)-3-hydroxy-6,10-dimethyl-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl acetate
16-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-methoxy-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
(2s)-3-hydroxy-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(10r,11r,15r,16r)-16-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-methoxy-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
3-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-2-methyl-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(2s,3s,4e,6s,7s)-2-(acetyloxy)-7-[(2s,3s)-3-(acetyloxy)-6-oxo-2,3-dihydropyran-2-yl]-6,7-dihydroxyhept-4-en-3-yl acetate
(2r,3s)-3-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-2-methyl-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(2s,4e)-2-(acetyloxy)-7-[(2s,3s)-3-(acetyloxy)-6-oxo-2,3-dihydropyran-2-yl]-6,7-dihydroxyhept-4-en-3-yl acetate
(3s,3ar,4r,8s,11as)-8-(acetyloxy)-3-(chloromethyl)-3-hydroxy-6,10-dimethyl-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl acetate
9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 3-hydroxy-2-methylpropanoate
3-{2,4-dihydroxy-3-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-5-methoxyphenyl}-5,7-dihydroxychromen-4-one
(2s,3s,4r,6s,8s)-4-chloro-3-ethenyl-9-hydroxy-2-isothiocyanato-3,7,7-trimethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),9,11(15),12-tetraen-16-one
5-hydroxy-8-(4-hydroxyphenyl)-4-phenyl-3h,4h-pyrano[3,2-g]chromene-2,6-dione
5-oxo-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexanoic acid
(1e,3s,5r,6s)-5,6-bis(acetyloxy)-5-hydroxy-1-[(2s,3s)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]hept-1-en-3-yl acetate
2-{[3-chloro-6,7-dihydroxy-7-(hydroxymethyl)-hexahydro-1h-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
13-chloro-5,8,9,14,16-pentahydroxy-3-methyl-4,5,8,9,10,12-hexahydro-3h-2-benzoxacyclotetradecine-1,11-dione
13-hydroxy-5,17-dimethoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carbaldehyde
5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]chromen-4-one
3-(3,5-dihydroxy-6-methoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-8-yl)-5,7-dihydroxychromen-4-one
6-(2h-1,3-benzodioxol-5-yl)-4,7,9-trimethoxy-2h-[1,3]dioxolo[4,5-g]chromen-8-one
(1r,2s,3s,6r)-3-[(benzoyloxy)methyl]-2,3,6-trihydroxy-4-oxocyclohexyl benzoate
5,7-dihydroxy-3-[(2s)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]chromen-4-one
5,7,14-trihydroxy-15-(3-hydroxy-3-methylbutyl)-13-methoxy-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one
3-[2,4-dihydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)-5-methoxyphenyl]-5,7-dihydroxychromen-4-one
3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
2-(4-hydroxy-3,5-dimethoxy-phenyl)-10-methoxy-3-methyl-2,3-dihydro-1,4,5-trioxa-phenanthren-6-one
{"Ingredient_id": "HBIN004402","Ingredient_name": "2-(4-hydroxy-3,5-dimethoxy-phenyl)-10-methoxy-3-methyl-2,3-dihydro-1,4,5-trioxa-phenanthren-6-one","Alias": "NA","Ingredient_formula": "C21H20O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10037","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'-o-β-glucopyranosyl plumbagicacid methylester
{"Ingredient_id": "HBIN009271","Ingredient_name": "3'-o-\u03b2-glucopyranosyl plumbagicacid methylester","Alias": "NA","Ingredient_formula": "C18H24O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8712","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-demethyl-picropodophyllotoxin
{"Ingredient_id": "HBIN010317","Ingredient_name": "4-demethyl-picropodophyllotoxin","Alias": "NA","Ingredient_formula": "C21H20O8","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5090","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-demethyl-podophyllotoxin
{"Ingredient_id": "HBIN010319","Ingredient_name": "4-demethyl-podophyllotoxin","Alias": "NA","Ingredient_formula": "C21H20O8","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O","Ingredient_weight": "400.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5092","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "118701089","DrugBank_id": "NA"}
4'-demethylpodophyllotoxin; 7,8,8'-triepimer
{"Ingredient_id": "HBIN010321","Ingredient_name": "4'-demethylpodophyllotoxin; 7,8,8'-triepimer","Alias": "NA","Ingredient_formula": "C21H20O8","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7848","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-altissinone
{"Ingredient_id": "HBIN015789","Ingredient_name": "(?)-altissinone","Alias": "NA","Ingredient_formula": "C21H20O8","Ingredient_Smile": "COC1=C(C=CC2=C1OCO2)C(=O)C3COC(C3CO)C4=CC5=C(C=C4)OCO5","Ingredient_weight": "400.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1009","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11632717","DrugBank_id": "NA"}