Exact Mass: 400.0993916
Exact Mass Matches: 400.0993916
Found 311 metabolites which its exact mass value is equals to given mass value 400.0993916,
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.
N-Desmethyldiltiazem
C21H24N2O4S (400.14567040000003)
N-Desmethyldiltiazem is a metabolite of diltiazem. Diltiazem is a nondihydropyridine (non-DHP) member of the class of drugs known as calcium channel blockers, used in the treatment of hypertension, angina pectoris, and some types of arrhythmia. It is also an effective preventive medication for migraine. It is a class 3 antianginal drug, and a class IV antiarrhythmic. It is a common adulterant of cocaine seized in the UK, and has been found to reduce cocaine cravings in rats, indicating it may prolong the high. (Wikipedia)
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
C16H20N2O10 (400.11179000000004)
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
O-Desmethyldiltiazem
C21H24N2O4S (400.14567040000003)
4-(4-Butyl-2,5-dioxo-3-methyl-3-phenyl-1-pyrrolidinyl)benzenesulfonamide
C21H24N2O4S (400.14567040000003)
Repinotan
C21H24N2O4S (400.14567040000003)
TRICIRIBINE PHOSPHATE
C13H17N6O7P (400.08963020000004)
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
C18H24O10 (400.13694039999996)
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
C15H16N10O4 (400.13559360000005)
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
3-epi-welwitindolinone B isothiocyanate
C21H21ClN2O2S (400.10121960000004)
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
C18H24O10 (400.13694039999996)
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
C18H24O10 (400.13694039999996)
(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
C18H24O10 (400.13694039999996)
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)
C16H20N2O10 (400.11179000000004)
(10R*,11S*)-11-bromo-10-hydroxychromomoric acid F methyl ester
C19H29BrO4 (400.12490940000004)
Regaloside A
C18H24O10 (400.13694039999996)
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
C16H21BrN2O5 (400.06337560000003)
6-Amino-9H-purin-2-ol sulfate (2:1)
C10H12N10O6S (400.06619720000003)
(2S,3S)-2-AMINO-3-ETHOXYBUTANOICACID
C21H24N2O4S (400.14567040000003)
Thiazolidine, 3-(1-naphthalenylsulfonyl)-2-(3-nitrophenyl)- (9CI)
2-(3-(benzo[d]thiazol-2-yl)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid
C22H12N2O4S (400.05177520000007)
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)
5-NITRO-2-(4-(5-NITRO-1H-BENZO[D]IMIDAZOL-2-YL)PHENYL)-1H-BENZO[D]IMIDAZOLE
C20H12N6O4 (400.09199920000003)
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
C20H18F2N4O3 (400.1346901999999)
6-fluoro-1-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
C20H18F2N4O3 (400.1346901999999)
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
1-Methyl-3-[6-(methylsulfinyl)hexyl]imidazolium p-Toluenesulfonate
Rosabulin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
5,6-DIAMINO-2,4-DIHYDROXYPYRIMIDINE SULFATE DIHYDRATE
C8H16N8O9S (400.07609260000004)
TRICIRIBINE PHOSPHATE
C13H17N6O7P (400.08963020000004)
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
4-chlorophenylguanidine carbonate
C15H18Cl2N6O3 (400.08173780000004)
(2R,5S)-5-(5-Fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
C18H25FN2O5S (400.14681320000005)
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
C20H21ClN4O3 (400.13021060000005)
N-(2,2-DIMETHOXYETHYL)-6-(5-(PHENYLTHIO)THIOPHEN-2-YL)NICOTINAMIDE
Repinotan
C21H24N2O4S (400.14567040000003)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
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
C23H16N2O3S (400.08815860000004)
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
C19H20N4O4S (400.12052000000006)
2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
C17H13ClN6O2S (400.05091880000003)
4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(1,1-dioxo-3-thiolanyl)butanamide
C20H20N2O5S (400.10928700000005)
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
C20H20N2O5S (400.10928700000005)
N-(3-Phenyl-2-sulfanylpropanoyl)phenylalanylalanine
C21H24N2O4S (400.14567040000003)
3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)propanoic acid
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-)
C19H18N3O5S- (400.09671180000004)
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
Welwitindolinone B isothiocyanate
C21H21ClN2O2S (400.10121960000004)
grixazone A(1-)
C18H14N3O6S- (400.06032840000006)
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
C15H22N5O6S+ (400.12907320000005)
[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
C15H22N5O6S+ (400.12907320000005)
S-[2-[3-[[(2R)-2-hydroxy-4-methyl-4-phosphonooxypentanoyl]amino]propanoylamino]ethyl] ethanethioate
C13H25N2O8PS (400.10691800000006)
2,3,4,6-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-5-one
4-[(4-Methoxyanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3-dione
C24H20N2O4 (400.14230000000003)
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
C19H20N4O4S (400.12052000000006)
(6R,7S,8S)-8-(hydroxymethyl)-7-[4-(2-methylphenyl)phenyl]-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C21H24N2O4S (400.14567040000003)
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxamide
C20H18ClFN4O2 (400.11022499999996)
3-[(2-chlorophenyl)methyl]-7-oxo-N-(thiophen-2-ylmethyl)-2H-triazolo[4,5-d]pyrimidine-5-carboxamide
C17H13ClN6O2S (400.05091880000003)
4-[[2-[[5-(3-Methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid
C18H16N4O3S2 (400.06637859999995)
N-ethyl-N-[2-[(5-nitro-8-quinolinyl)amino]ethyl]benzenesulfonamide
C19H20N4O4S (400.12052000000006)
3-[(4-Chlorophenyl)sulfonylamino]propanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
C16H17ClN2O6S (400.04958120000003)
2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-furanylmethyl)benzamide
C20H20N2O5S (400.10928700000005)
1-[cyclopropyl(oxo)methyl]-N-(2-hydroxyethyl)-N-(phenylmethyl)-2,3-dihydroindole-5-sulfonamide
C21H24N2O4S (400.14567040000003)
ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate
C16H21ClN4O4S (400.0971976000001)
4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
C23H16N2O3S (400.08815860000004)
1-[2,3-Bis(2-pyridinyl)-6-quinoxalinyl]-3-propylthiourea
N-[4-chloro-2-[(2,4-dimethoxyanilino)-oxomethyl]phenyl]-2-furancarboxamide
4-[[3-[(4-methylanilino)-oxomethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
C21H24N2O4S (400.14567040000003)
(6R,7R,8R)-8-(hydroxymethyl)-7-[4-(2-methylphenyl)phenyl]-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C21H24N2O4S (400.14567040000003)
N-[2-[(2S,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C18H25FN2O5S (400.14681320000005)
N-[2-[(2R,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C18H25FN2O5S (400.14681320000005)
N-[2-[(2R,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C18H25FN2O5S (400.14681320000005)
N-[2-[(2S,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C18H25FN2O5S (400.14681320000005)
N-cyclobutyl-2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
C18H25FN2O5S (400.14681320000005)
N-cyclobutyl-2-[(2S,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
C18H25FN2O5S (400.14681320000005)
N-cyclobutyl-2-[(2S,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
C18H25FN2O5S (400.14681320000005)
1-[(1S,2aS,8bS)-1-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-1-propanone
C21H24N2O4S (400.14567040000003)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(2-methylphenyl)phenyl]-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C21H24N2O4S (400.14567040000003)
(6S,7S,8R)-8-(hydroxymethyl)-7-[4-(2-methylphenyl)phenyl]-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C21H24N2O4S (400.14567040000003)
N-[2-[(2R,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C18H25FN2O5S (400.14681320000005)
N-[2-[(2R,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C18H25FN2O5S (400.14681320000005)
N-[2-[(2S,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C18H25FN2O5S (400.14681320000005)
N-[2-[(2S,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C18H25FN2O5S (400.14681320000005)
N-cyclobutyl-2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
C18H25FN2O5S (400.14681320000005)
N-cyclobutyl-2-[(2R,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
C18H25FN2O5S (400.14681320000005)
N-cyclobutyl-2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
C18H25FN2O5S (400.14681320000005)
N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
C18H25FN2O5S (400.14681320000005)
N-cyclobutyl-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
C18H25FN2O5S (400.14681320000005)
1-[(1R,2aR,8bR)-1-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-1-propanone
C21H24N2O4S (400.14567040000003)
1-[(1S,2aR,8bR)-1-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-1-propanone
C21H24N2O4S (400.14567040000003)
1-[(1R,2aS,8bS)-1-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-1-propanone
C21H24N2O4S (400.14567040000003)
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-(2-methylphenyl)phenyl]-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
C21H24N2O4S (400.14567040000003)
[(2S,3R)-6-ethylsulfonyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-phenylmethanone
C21H24N2O4S (400.14567040000003)
[(2R,3R)-6-ethylsulfonyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-phenylmethanone
C21H24N2O4S (400.14567040000003)
[(2S,3S)-6-ethylsulfonyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-phenylmethanone
C21H24N2O4S (400.14567040000003)
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
C18H24O10 (400.13694039999996)
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
C18H24O10 (400.13694039999996)
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
C20H20F4O4 (400.12976480000003)
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
C20H9F5N4 (400.07473339999996)
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].