Exact Mass: 292.115812
Exact Mass Matches: 292.115812
Found 500 metabolites which its exact mass value is equals to given mass value 292.115812,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Coumatetralyl
CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9425; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4993; ORIGINAL_PRECURSOR_SCAN_NO 4992 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9475; ORIGINAL_PRECURSOR_SCAN_NO 9473 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9525; ORIGINAL_PRECURSOR_SCAN_NO 9523 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4997; ORIGINAL_PRECURSOR_SCAN_NO 4994 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9512; ORIGINAL_PRECURSOR_SCAN_NO 9510 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9466; ORIGINAL_PRECURSOR_SCAN_NO 9465 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4985; ORIGINAL_PRECURSOR_SCAN_NO 4984 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9526; ORIGINAL_PRECURSOR_SCAN_NO 9525 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4976; ORIGINAL_PRECURSOR_SCAN_NO 4974 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4948; ORIGINAL_PRECURSOR_SCAN_NO 4946 CONFIDENCE standard compound; INTERNAL_ID 710; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4987; ORIGINAL_PRECURSOR_SCAN_NO 4984 D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
SB 206553
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
(1R,5aS,6R)-4a-Hydroxy-1,4,4a,5,5a,6,9,10a-octahydrophenazine-1,6-dicarboxylate
11,12-Dimethoxydihydrokawain
11,12-Dimethoxydihydrokawain is found in beverages. 11,12-Dimethoxydihydrokawain is a constituent of Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002)
Pantoyllactone glucoside
Pantoyllactone glucoside is found in cereals and cereal products. Pantoyllactone glucoside is isolated from rice seedlings (Oryza sativa). Isolated from rice seedlings (Oryza sativa). Pantoyllactone glucoside is found in cereals and cereal products.
(2S,4S)-Monatin
(2S,4S)-Monatin is a constituent of the roots of Schlerochiton ilicifolius. High intensity sweetener. Constituent of the roots of Schlerochiton ilicifolius. High intensity sweetener
(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one
(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one is found in herbs and spices. (all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one is a constituent of the rhizomes of Curcuma domestica (turmeric). Constituent of the rhizomes of Curcuma domestica (turmeric). (all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one is found in herbs and spices.
Coriandrone A
Constituent of Coriandrum sativum (coriander). Coriandrone A is found in coriander and herbs and spices. Coriandrone A is found in coriander. Coriandrone A is a constituent of Coriandrum sativum (coriander).
Coriandrone B
Constituent of Coriandrum sativum (coriander). Coriandrone B is found in coriander and herbs and spices. Coriandrone B is found in coriander. Coriandrone B is a constituent of Coriandrum sativum (coriander).
N-gamma-Glutamyl-S-propylcysteine
C11H20N2O5S (292.10928700000005)
Isolated from garlic (Allium sativum) and chives (Allium schoenoprasum). N-gamma-Glutamyl-S-propylcysteine is found in many foods, some of which are garlic, chives, soft-necked garlic, and onion-family vegetables. N-gamma-Glutamyl-S-propylcysteine is found in chives. N-gamma-Glutamyl-S-propylcysteine is isolated from garlic (Allium sativum) and chives (Allium schoenoprasum).
Histidylhistidine
Histidylhistidine is a dipeptide composed of two histidine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Canavaninosuccinate
C9H16N4O7 (292.10189460000004)
Canavaninosuccinate is formed from ureidohomoserine and aspartate by a human or bovine liver extract that had high argininosuccinate synthetase (EC 6.3.4.5) activity, and the subsequent formation of guanidinosuccinate is done by reductive cleavage. In the presence of ATP the optimum pH for the synthetic reaction is 8.4. This reaction can be carried out in either a tris(hydroxymethyl)aminomethane or borate buffer. Subsequent addition of dithiothreitol in the presence of Fe2+ resulted in the cleavage of some of the synthesized canavaninosuccinate to form guanidinosuccinate and homoserine. Synthesis of canavaninosuccinate was strongly inhibited by added argininosuccinate, less so by canavaninosuccinate, arginine, canavanine, glycine, or 2,3-dimercaptopropanol. All the reactions, starting with canavaninosuccinate and down to the formation of guanidinoacetate and guanidinosuccinate have been demonstrated in human tissue ( (PMID: 241511) [HMDB]. Canavaninosuccinate is found in many foods, some of which are common grape, guava, bamboo shoots, and cabbage. Canavaninosuccinate is formed from ureidohomoserine and aspartate by a human or bovine liver extract that had high argininosuccinate synthetase (EC 6.3.4.5) activity, and the subsequent formation of guanidinosuccinate is done by reductive cleavage. In the presence of ATP the optimum pH for the synthetic reaction is 8.4. This reaction can be carried out in either a tris(hydroxymethyl)aminomethane or borate buffer. Subsequent addition of dithiothreitol in the presence of Fe2+ resulted in the cleavage of some of the synthesized canavaninosuccinate to form guanidinosuccinate and homoserine. Synthesis of canavaninosuccinate was strongly inhibited by added argininosuccinate, less so by canavaninosuccinate, arginine, canavanine, glycine, or 2,3-dimercaptopropanol. All the reactions, starting with canavaninosuccinate and down to the formation of guanidinoacetate and guanidinosuccinate have been demonstrated in human tissue ( (PMID: 241511).
Mono-(2-ethyl-5-oxohexyl) phthalate
Mono-(2-ethyl-5-oxohexyl) phthalate, also known as 2-{[(2-ethyl-5-oxohexyl)oxy]carbonyl}benzoic acid, mono(2-Ethyl-5-oxohexyl) phthalate or phthalate mono(2-ethyl-5-oxohexyl) ester, is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Mono-(2-ethyl-5-oxohexyl) phthalate is considered to be practically insoluble (in water) and acidic. (ChemoSummarizer). Mono-(2-ethyl-5-oxohexyl) phthalate is a metabolite of mono(2-ethylhexyl) phthalate (MEHP) and a secondary metabolite of di(2-ethylhexyl) phthalate (DEHP).
(+-)-(4Ar*,10R*,10aS*)-8-Chloro-1,2,3,4,10,10a-hexahydro-2-methyl-4a,10-(iminoethano)-4aH-(1)benzopyrano(3,2-c)pyridin-12-one
Blebbistatin
C18H16N2O2 (292.12117159999997)
1-(2-Aminoacetyl)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
Cladosporin
D004791 - Enzyme Inhibitors
11b,13-Dihydrolactucin
11b,13-dihydrolactucin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 11b,13-dihydrolactucin can be found in a number of food items such as endive, chicory, dandelion, and romaine lettuce, which makes 11b,13-dihydrolactucin a potential biomarker for the consumption of these food products.
Curvularin
Climbazole
C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 8183
4-Allyl-1,2-diphenyl-3,5-pyrazolidinedione
C18H16N2O2 (292.12117159999997)
3-Methyl-1-morpholinopyrido[1,2-a]benzimidazole-4-carbonitrile
Benzyldiphenylphosphine oxide
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 13
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxy-1-benzopyran-2-one
plectranthon C|Plectranthon C ( = 3-Hydroxy-7,8-dimethyl-2-(prop-2-enyl)phenanthren-1,4-dion)|Plectranthone C
O1-(2-Aethyl-butyryl)-beta-D-glucopyranuronsaeure|O1-(2-ethyl-butyryl)-beta-D-glucopyranuronic acid
3-methoxytanapartholide|3-O-methyl-iso-secotanapartholide|3beta-methoxyisosecotanapartholide|Iso-seco-tanapartholide-3-O-methyl ether
(+)-7-methoxy-6-(2R-methoxy-3-hydroxy-3-methylbutyl)coumarin
1alpha-hydroxy-9alpha,5beta-epoxy-4,10-dimethyl-6-oxo-7-(1-carbomethoxy-ethyliden)-cyclodeca-7Z,9Z-diene
4-[(2E)-but-2-enoyl]-2-[(1E,3E)-5-hydroxyhexa-1,3-dien-1-yl]-5-methoxy-2-methylfuran-3(2H)-one|penicilliol A
botryosphaerin A|rel-(3aS,5aR,10aS,10bS,10cR)-1,2,3,3a,5a,7,10,10a,10b,10c-decahydro-10a-hydroxy-3a,10b-dimethyl-4H,9H-[2]benzofuro[7,1-fg]isochrome-4,9-dione
15-nor-1beta,4alpha,13,14-tetrahydroxy-8,11,13-podocarpatrien-7-one
4beta-hydroperoxy-9-alpha-methoxy-5alphaH-guaia-1(10),3,11(13)-trien-12,6alpha-olide
Me ester-(1(10)E,4Z,8xi)-8-Hydroxy-1(10),4,7(11)-germacratrien-12,8-olid-15-oic acid
(1aSR,6SR,7RS,7aRS,7bSR)-1a-acetyl-1a,2,4,5,6,7,7a,7b-octahydro-7,7a-dimethyl-2-oxonaphtho[1,2-b]oxiren-6-yl acetate|3beta-(acetyloxy)-6alpha,7alpha-epoxy-11-noreremophil-9(10)-ene-8,11-dione
Me ester-(1(10)E,4Z,6alpha)-15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid|Methyl 15-hydroxygermacra-1(10)E,4Z,11(13)-trien-6alpha,12-olide-14-oic acid
4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenyl (2Z)-2-methylbut-2-enoate|nervolan B
Asperentin
A member of the class of isocoumarins that is 6,8-dihydroxy-3,4-dihydro-1H-isochromen-1-one substituted by a [6-methyltetrahydro-2H-pyran-2-yl]methyl group at position 3. It has been isolated from the fungus Chaetomium globosum and Aspergillus flavus. D004791 - Enzyme Inhibitors
ferulic acid hexan-3-onyl ether|trans-ferulic acid-O-hexan-3-onyl ether
3-Benzyl-6-benzylidenepiperazine-2,5-dione
C18H16N2O2 (292.12117159999997)
1beta,8beta-epoxy-2alpha-methoxy-6-oxogermacra-9(10), 7(11)-dien-8,12-olide
(2S,3S,4R,5R)-2,5-epoxy-3,4-dimethyl-8,9,10-trimethoxy-6,11-benzocycloheptan-1-one|gymnothedelignan B
(1aR,4S,4aR,8aR,9aS)-2,3,4,4a,8a,9-hexahydro-8a-methoxy-4,4a,6-trimethyl-1aH-oxireno[8,8a]naphtho[2,3-b]furan-5,7-dione|1beta,10beta-epoxy-8alpha-methoxy-6-oxoeremophil-7(11)-en-12,8beta-olide
7-methoxy-8-(2-methoxy-3-hydroxy-3-methylbutyl)coumarin
3-<(N-acetyl-L-seryl)amino>-3,6-dideoxy-D-glucose|3-[(N-acetyl-L-seryl)amino]-3,6-dideoxy-D-glucose
6-Methoxy-7-(2-hydroxy-3,3-dimethylbutoxy)coumarin
3-(5,7-dimethoxy-2,2-dimethyl-chromen-6-yl)propanoic acid
Dihydrovincarpin|Dihydrovincarpine
C18H16N2O2 (292.12117159999997)
1beta-acetoxy-8beta-hydroxyeudesmen-4(15),7(11)-dien-8alpha,12-olide
2,7-Dimethyl-2-(4-methyl-3-pentenyl)-8-chloro-2H-1-benzopyran-5-ol
11-hydroxy-3,8-dioxo-eudesman-1,4-dien-12-oic acid methyl ester
2-(3-Methylene-7-methyl-1-oxo-4,7-epidioxyoctane-1-yl)-1,4-benzenediol
O1-((1Xi)-trans-2-hydroxy-cyclohexyl)-beta-D-glucopyranuronic acid|O1-((1Xi)-trans-2-Hydroxy-cyclohexyl)-beta-D-glucopyranuronsaeure
(4-methyl-3-oxo-pentyl)-ferulate|<4-methyl-3-oxo-pentyl>-ferulate
8beta-methoxy-eremophil-7(11)-en-6alpha,15;8alpha,12-diolide|8beta-methoxyeremophil-7(11)-en-6alpha,15;8alpha,12-diolide|8beta-methoxyeremophil-7(11)-ene-12,8alpha(4beta,6alpha)-diolide
(1E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
Climbazol
C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 2364 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2739
[4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] 2-methylpropanoate
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one
C12H20O8_(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D-glucopyranoside
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one
[4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] 2-methylpropanoate
(3R)-4,4-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
COUMATETRALYL
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847919]
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one_major
[4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] 2-methylpropanoate_major
(-)-Blebbistatin
C18H16N2O2 (292.12117159999997)
(+)-Blebbistatin
C18H16N2O2 (292.12117159999997)
(±)-Blebbistatin
C18H16N2O2 (292.12117159999997)
His-his
A dipeptide formed from two L-histidine residues.
Coriandrone A
Coriandrone B
N-g-Glutamyl-S-propylcysteine
C11H20N2O5S (292.10928700000005)
(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one
Pantoyllactone glucoside
4-(1-Acetyloxypropen-2-yl-)-2-methoxyphenylisobutyrat
TERT-BUTYL 2-(TRIFLUOROMETHYL)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[1,5-A]PYRAZINE-7(8H)-CARBOXYLATE
beta-Alanine, N-(2-aminoethyl)-N-[2-(2-carboxyethoxy)ethyl]-, N-coco acyl derivs., disodium salts
4-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-TRIFLUOROMETHYLPHENYLAMINE
ETHYL 1-(4-CHLOROPHENYL)-5-PROPYL-1H-PYRAZOLE-4-CARBOXYLATE
2,2-(1,4-Butanediyl)bis-1,3-benzoxazole
C18H16N2O2 (292.12117159999997)
4-pyridin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
C18H16N2O2 (292.12117159999997)
N-tert-Butoxycarbonyl-S-acetamidomethyl-D-cysteine
C11H20N2O5S (292.10928700000005)
5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine
3,3-[1,4-Phenylenebis(oxy)]dianiline
C18H16N2O2 (292.12117159999997)
1,3-DIPHENYLPYRAZOLE-4-PROPIONIC ACID
C18H16N2O2 (292.12117159999997)
5(4H)-Oxazolone,4-[[4-(dimethylamino)phenyl]methylene]-2-phenyl-
C18H16N2O2 (292.12117159999997)
4-(N-Ethyl-N-2-hydroxyethyl)-2-methylphenylenediamine sulfate
C11H20N2O5S (292.10928700000005)
8-(1-butoxyethenyl)-7-chloro-2-methoxy-1,5-naphthyridine
ethyl 6-(2-cyclopentylethyl)imidazo[2,1-b]thiazole-5-carboxylate
ETHYL 2,4-DIPHENYLIMIDAZOLE-5-CARBOXYLATE
C18H16N2O2 (292.12117159999997)
4-Quinolinecarboxylic acid, 2-((2,4-dimethylphenyl)amino)-
C18H16N2O2 (292.12117159999997)
3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride
3-(CYCLOHEXYLCARBAMOYL)-5-NITROPHENYLBORONIC ACID
C13H17BN2O5 (292.12304620000003)
TRI(2-METHOXYCARBONYLETHYL)PHOSPHINE
C12H21O6P (292.10756960000003)
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
C18H16N2O2 (292.12117159999997)
3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
((4-((4-FLUOROPHENYL)ETHYNYL)PHENYL)ETHYNYL)TRIMETHYLSILANE
2-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)-5-(TRIFLUOROMETHYL)ANILINE
1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
C18H16N2O2 (292.12117159999997)
Ethyl 4-hydroxy-1-(2-methoxyethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
3-[3-(3-azanylphenoxy)phenoxy]aniline
C18H16N2O2 (292.12117159999997)
4-(2-HYDRAZONO-2-(PYRIDIN-2-YL)ETHYL)-7-METHOXYQUINOLINE
tert-Butyl 3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
(5-CHLORO-4-METHOXY-2-METHYLPHENYL)BORONICACID
C18H16N2O2 (292.12117159999997)
N-benzyl-2-(1H-indol-3-yl)-N-methyl-2-oxo-acetamide
C18H16N2O2 (292.12117159999997)
(alphaR)-alpha-[[[2-(4-Aminophenyl)ethyl]amino]methyl]benzenemethanol hydrochloride
1H-Pyrrolo[2,3-b]pyridine-5-carboxylicacid,1-[[2-(triMethylsilyl)ethoxy]Methyl]-
Pyrimido[1,2-a]benzimidazol-4-amine, N-(3-fluorophenyl)-2-methyl- (9CI)
Ethyl 1,3-diphenyl-1H-pyrazole-5-carboxylate
C18H16N2O2 (292.12117159999997)
3,4-DI(BENZYLAMINO)CYCLOBUT-3-ENE-1,2-DIONE
C18H16N2O2 (292.12117159999997)
N-(8-ethoxyquinolin-5-yl)benzamide
C18H16N2O2 (292.12117159999997)
5-tert-butylsulfonyl-2-pyridin-4-ylpyrimidin-4-amine
5-METHYL-1-(3-PYRIDYLCARBAMOYL)-1,2,3,5-TETRAHYDROPYRROLO [2,3-F]INDOLE
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
BENZYL 4-(AMINOMETHYL)PHENYL CARBAMATE HYDROCHLORIDE
2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
2-(4-dimethylamino-phenyl)-quinoline-4-carboxylic acid
C18H16N2O2 (292.12117159999997)
a-Methyl-4,5-diphenyl-1H-imidazole-1-acetic acid
C18H16N2O2 (292.12117159999997)
1-Benzyl-3-methoxy-piperidin-4-ylamine dihydrochloride
acetic acid, [2-acetyl-5-[(3-methyl-2-butenyl)oxy]phenoxy]-, methyl ester
sec-Butylidenedi-p-phenylene cyanate
C18H16N2O2 (292.12117159999997)
7,8,10,11,13,14-Hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4(3H)-one
5-[(DIMETHYLAMINO)METHYL]-3-(1-METHYL-1H-INDOL-3-YL)-1,2,4-OXADIAZOLEHCL
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalic acid
C14H17BO6 (292.11181320000003)
1,3,5,7-tetramethyl-6-phenyl-2,4,8-trioxa-6-phosphaadamantane
2-(1H-1,2,3-TRIAZOL-4-YL)PYRIDINE AND 2-(2H-1,2,3-TRIAZOL-4-YL)PYRIDINE
(2-(TRIETHYLSILYL)BENZO[B]THIOPHEN-7-YL)BORONIC ACID
C14H21BO2SSi (292.11245160000004)
1-(3,6-diphenyl-1H-1,2,4,5-tetrazin-2-yl)propan-1-one
ethyl 2-cyano-3-(4-phenylanilino)prop-2-enoate
C18H16N2O2 (292.12117159999997)
2-(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YLMETHYL)-ISOINDOLE-1,3-DIONE
C18H16N2O2 (292.12117159999997)
1-(2-Methoxyphenyl)-3-naphthalen-2-ylurea
C18H16N2O2 (292.12117159999997)
Bifluranol
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
(4S)-2-((1H-Indol-3-yl)methyl)-4-amino-2-hydroxypentanedioic acid
1-({2-[2-(4-Chlorophenyl)ethyl]-1,3-Dioxolan-2-Yl}methyl)-1h-Imidazole
(3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
C18H16N2O2 (292.12117159999997)
(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
C18H16N2O2 (292.12117159999997)
4-[4-(2,5-Dioxo-pyrrolidin-1-YL)-phenylamino]-4-hydroxy-butyric acid
13,15-Dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-D-glucopyranose
4-[(4E,6E)-3-oxo-7-phenylhepta-4,6-dien-1-yl]cyclohexa-3,5-diene-1,2-dione
2-[[amino-[[(3S)-3-amino-3-carboxypropoxy]amino]methylidene]amino]butanedioic acid
C9H16N4O7 (292.10189460000004)
(5E,8E)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid
[3-Carboxy-2-(4-methylsulfanyl-2-oxobutanoyl)oxypropyl]-trimethylazanium
(1E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
3-O-methyl-isosecotanapartholide
A sesquiterpene lactone that is isosecotanapartholide in which the hydroxy group at position 3 is replaced by a methoxy group. Isolated from Artemisia iwayomogi and Tanacetum cilicicum, it acts as an inhibitor of nitric oxide synthase.
(2E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-2,4,6-trien-1-one
2H-Pyran-2-one, 6-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dihydro-4-methoxy-, (S)-
3-[4-(2-hydroxyethylamino)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
C18H16N2O2 (292.12117159999997)
2-(benzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
(S)-climbazole
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4-thiane]carbonitrile
5-Amino-1-(2-hydroxyethyl)-3-(1-naphthalenylmethyl)-4-pyrazolecarbonitrile
4-[(1-Ethyl-6-methyl-4-pyrazolo[3,4-b]pyridinyl)oxymethyl]benzonitrile
N-(3,4-Dimethoxybenzylidene)-3-(ethylthio)-4H-1,2,4-triazol-4-amine
4-Phenyl-2-[(pyridin-3-ylamino)methylidene]cyclohexane-1,3-dione
C18H16N2O2 (292.12117159999997)
1-(3,5-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-2-propanol
5-(cyclohexylmethyl)-3-thiophen-2-yl-1H-pyridazin-6-one;hydrate
1-(4-Methoxyphenyl)-2-(1-methyl-2-isoquinolin-2-iumyl)ethanone
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
(1R,5S)-3-methylsulfonyl-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
(allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onic acid
2-[2-(6-Hydroxy-1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
2-[2-(1,3-Benzodioxol-5-yl)ethyl]-5-hydroxy-4-methoxy-2,3-dihydropyran-6-one
2-[2-(1,3-Benzodioxol-5-yl)-1-hydroxyethyl]-4-methoxy-2,3-dihydropyran-6-one
2-[2-(1,3-Benzodioxol-5-yl)-2-hydroxyethyl]-4-methoxy-2,3-dihydropyran-6-one
2-[4-[(1E,8E)-deca-1,8-dienyl]-2,5-dioxofuran-3-yl]acetic acid
Methyl 2-(N-((4S,5R)-4-methyl-5-phenyl-2-oxazolidinone-3-carbamoyl))aminoacetate
Picrotoxinin
Picrotoxinin is a picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin. It has a role as a plant metabolite, a GABA antagonist and a serotonergic antagonist. It is an organic heteropentacyclic compound, an epoxide, a tertiary alcohol, a gamma-lactone and a picrotoxane sesquiterpenoid. Picrotoxinin is a natural product found in Picrodendron baccatum and Anamirta cocculus with data available. A picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin. D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1]. Picrotoxinin, a potent convulsant, is a chloride channel blocker. Picrotoxinin is a noncompetitive GABAA receptor antagonist, which negatively modulates the action of GABA on GABAA receptors. Picrotoxinin inhibits α1β2γ2L GABAA receptor with an IC50 of 1.15 μM[1].
4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid
N-gamma-Glutamyl-S-propylcysteine
C11H20N2O5S (292.10928700000005)
1,7-bis-(4-hydroxyphenyl)-2,4,6-heptatrienone
An enone that consists of 7-oxohepta-1,3,5-triene-1,7-diyl moiety substituted by a 4-hydroxyphenyl substituent at C-1 and at C-7. It is isolated from the rhizomes of Etlingera elatior and has been found to inhibit lipid peroxidation.
1,7-bis (4-hydroxyphenyl)-1,4,6-heptatrien-3-one
A diarylheptanoid that is 1,4,6-heptatrien-3-one substituted by 4-hydroxypheny group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma domestica and Etlingera elatior.
mono(2-Ethyl-5-oxohexyl) phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 2-ethyl-5-oxohexan-1-ol.
3'-Azido-3'-deoxyadenosine
3'-Azido-3'-deoxyadenosine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1]. 3'-Azido-3'-deoxyadenosine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
(1r,7r,9r,10s,12s,14r)-7-methoxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.0¹,¹⁴.0³,⁷.0¹⁰,¹²]pentadec-3-en-5-one
3-ethyl-6h,7h-indolo[2,3-a]quinolizine-2-carboxylic acid
C18H16N2O2 (292.12117159999997)
3-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-6-yl)-2-methylpropanoic acid
(2r,3s,4as)-2,3,7-trihydroxy-9-methoxy-4a-methyl-2h,3h,4h-benzo[c]chromen-6-one
4-hydroxy-3-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-5,6-dimethylpyran-2-one
6-(3-methylbut-2-en-1-yl)phenazine-1-carboxylic acid
C18H16N2O2 (292.12117159999997)
10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadecane-7,15-dione
3-oxohexyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
methyl (2e)-7-[(e)-benzoyloxy]-6-hydroxy-4-oxohept-2-enoate
(1r,2r,6s,7z,9s,11s)-9,11-dihydroxy-8-methyl-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,12(15)-diene-4,13-dione
12,14-dihydroxy-3-methyl-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecine-1,9-dione
(4s,6s)-6-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-one
10,10-dimethyl-5-(3-methylbut-3-en-1-yn-1-yl)-2,6,9-trioxatetracyclo[6.4.0.0¹,³.0⁵,⁷]dodecane-4,11-diol
methyl (2s)-2-[(2s,4ar)-4a,8-dimethyl-3,7-dioxo-2,4-dihydro-1h-naphthalen-2-yl]-2-hydroxypropanoate
(2s)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhept-5-enoic acid
(4s,11s)-4-(2-hydroxypropan-2-yl)-7-methoxy-11-methyl-3,12-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-13-one
(4ar,5s,8as,9s,9ar)-9-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,8ah,9h-naphtho[2,3-b]furan-2,8-dione
2-(deca-4,6,8-triyn-1-yloxy)-6-methyloxane-3,4,5-triol
methyl 2-[(5r,6r,7as)-6-ethenyl-7a-hydroxy-3,6-dimethyl-2-oxo-5,7-dihydro-4h-1-benzofuran-5-yl]prop-2-enoate
4-hydroxy-6-methoxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-3,5,7-trien-13-one
(3as,4ar,5r,9ar)-3a,5-dihydroxy-9a-methoxy-4a,5-dimethyl-3-methylidene-2h,4h-naphtho[2,3-b]furan-6-one
8-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-2-ene-4,11-dione
(1r,9r,12s)-3,6-dihydroxy-4-methoxy-12-(2-oxopropyl)-11-oxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-trien-8-one
9-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,8ah,9h-naphtho[2,3-b]furan-2,8-dione
5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-2-(hydroxymethyl)chromen-4-one
1,8,9a-trihydroxy-3,4a-dimethyl-2,3-dihydro-1h-xanthene-4,9-dione
methyl 3-methyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-ene-8-carboxylate
(1r,7s,9s,10s,12s,14r)-7-methoxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.0¹,¹⁴.0³,⁷.0¹⁰,¹²]pentadec-3-en-5-one
4-[(1z)-3-(acetyloxy)prop-1-en-1-yl]-2-methoxyphenyl 2-methylpropanoate
1-(4-methoxy-1-benzofuran-5-yl)-3-(4-methylphenyl)prop-2-en-1-one
methyl (1'r,2r,5's,8'r)-3',3'-dimethyl-11'-oxo-10'-oxaspiro[oxirane-2,12'-tricyclo[6.4.0.0¹,⁵]dodecan]-6'-ene-7'-carboxylate
(4s,5s)-5-[(3r)-3-methoxy-2-methyl-5-oxocyclopent-1-en-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one
5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-en-1-yl)-2-(hydroxymethyl)chromen-4-one
3-ethyl-5-hydroxy-2,6,7-trimethoxynaphthalene-1,4-dione
methyl (1s,4as,7s,7ar)-4'-ethyl-1-hydroxy-5'-oxo-4a,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
1,4-dimethyl 2-(4-hydroxyphenyl)-3-(2-methylpropyl)but-2-enedioate
(2e,4e)-5-[(3r,6r,7r)-6,7-dihydroxy-7-methyl-8-oxo-4,6-dihydro-3h-2-benzopyran-3-yl]penta-2,4-dienoic acid
(1r)-1-hydroxy-1,4-dimethyl-2h,3h-cyclopenta[b]anthracene-5,10-dione
4a-hydroxy-1,4-dimethyl-2h,3h-cyclopenta[b]anthracene-5,10-dione
(1r,2r)-2-hydroxy-2-[(2r,3s)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl acetate
1,4-dihydroxy-2-(7'-methyl-3'-methylene-1'-oxo-4',7'-peroxide-octyl)benzene
{"Ingredient_id": "HBIN001430","Ingredient_name": "1,4-dihydroxy-2-(7'-methyl-3'-methylene-1'-oxo-4',7'-peroxide-octyl)benzene","Alias": "NA","Ingredient_formula": "C16H20O5","Ingredient_Smile": "CC1(CCC(OO1)C(=C)CC(=O)C2=C(C=CC(=C2)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6040","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,7-double-(4-Hydroxyphenyl)-1,4,6-Cycloheptatriene-3-ketone
{"Ingredient_id": "HBIN002043","Ingredient_name": "1,7-double-(4-Hydroxyphenyl)-1,4,6-Cycloheptatriene-3-ketone","Alias": "NA","Ingredient_formula": "C19H16O3","Ingredient_Smile": "C1=CC(=CC=C1C=CC=CC(=O)C=CC2=CC=C(C=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41353","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-o-coumaroylglycerol; (s,e)-form,4'-me ether,2,3-o-isopropylidene
{"Ingredient_id": "HBIN002874","Ingredient_name": "1-o-coumaroylglycerol; (s,e)-form,4'-me ether,2,3-o-isopropylidene","Alias": "NA","Ingredient_formula": "C16H20O5","Ingredient_Smile": "NA","Ingredient_weight": "292.33","OB_score": "NA","CAS_id": "220852-55-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9134","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydro-2-methyl-2h-pyran-3,4-diol; (2s,3r,4s)-form,4-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN007349","Ingredient_name": "3,4-dihydro-2-methyl-2h-pyran-3,4-diol; (2s,3r,4s)-form,4-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C12H20O8","Ingredient_Smile": "NA","Ingredient_weight": "292.28","OB_score": "NA","CAS_id": "81793-76-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8299","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydro-2-methyl-2h-pyran-3,4-diol; (2s,3s,4s)-form,4-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN007350","Ingredient_name": "3,4-dihydro-2-methyl-2h-pyran-3,4-diol; (2s,3s,4s)-form,4-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C12H20O8","Ingredient_Smile": "NA","Ingredient_weight": "292.28","OB_score": "NA","CAS_id": "94323-77-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8298","PubChem_id": "NA","DrugBank_id": "NA"}
3-methoxytanapartholide
{"Ingredient_id": "HBIN008858","Ingredient_name": "3-methoxytanapartholide","Alias": "NA","Ingredient_formula": "C16H20O5","Ingredient_Smile": "CC1=C(C(=O)CC1OC)C2C(C(=C)C(=O)O2)CCC(=O)C","Ingredient_weight": "292.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14090","TCMSP_id": "NA","TCM_ID_id": "11786;11787;17223;17224","PubChem_id": "14527156","DrugBank_id": "NA"}
(3r,5r)-3-(β-d-glucopyranosyloxy)-5-hexanolide
{"Ingredient_id": "HBIN009549","Ingredient_name": "(3r,5r)-3-(\u03b2-d-glucopyranosyloxy)-5-hexanolide","Alias": "NA","Ingredient_formula": "C12H20O8","Ingredient_Smile": "CC1CC(CC(=O)O1)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8688","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-8-(2'-methoxy-3'-hydroxy-3'3methylbutyl)coumarin
{"Ingredient_id": "HBIN013329","Ingredient_name": "7-methoxy-8-(2'-methoxy-3'-hydroxy-3'3methylbutyl)coumarin","Alias": "NA","Ingredient_formula": "C16H20O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31560","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-8-(2'-methoxy-3'-hydroxy-3’-methyl-butyl)coumarin
{"Ingredient_id": "HBIN013330","Ingredient_name": "7-methoxy-8-(2'-methoxy-3'-hydroxy-3\u2019-methyl-butyl)coumarin","Alias": "NA","Ingredient_formula": "C16H20O5","Ingredient_Smile": "CC(C)(C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13989","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-acetyl goniofufurone
{"Ingredient_id": "HBIN013611","Ingredient_name": "8-acetyl goniofufurone","Alias": "NA","Ingredient_formula": "C15H16O6","Ingredient_Smile": "CC(=O)OC(C1C(C2C(O1)CC(=O)O2)O)C3=CC=CC=C3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "404","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-o-acetylgoniotriol
{"Ingredient_id": "HBIN013841","Ingredient_name": "8-o-acetylgoniotriol","Alias": "NA","Ingredient_formula": "C15H16O6","Ingredient_Smile": "CC(=O)OC(C1=CC=CC=C1)C(C2C(C=CC(=O)O2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "405","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
allamdin
{"Ingredient_id": "HBIN015191","Ingredient_name": "allamdin","Alias": "NA","Ingredient_formula": "C15H16O6","Ingredient_Smile": "CCC1=CC2(C=CC3C2C(OC=C3C(=O)OC)O)OC1=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "915","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-[(3-hydroxy-2-methyl-3,4-dihydro-2h-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 2-{7-hydroxy-6,10-dimethyl-2-oxo-11-oxabicyclo[8.1.0]undeca-3,5-dien-3-yl}prop-2-enoate
5,7-dihydroxy-6-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-2-(hydroxymethyl)chromen-4-one
(1s,3s,4ar,9ar)-1,8,9a-trihydroxy-3,4a-dimethyl-2,3-dihydro-1h-xanthene-4,9-dione
8-hydroxy-3-[(2s)-2-hydroxy-4-oxopentyl]-6-methoxyisochromen-1-one
6-[(1r,2r)-1,2-dihydroxy-3-methylbut-3-en-1-yl]-8-hydroxy-7-methoxychromen-2-one
5-hydroxy-8-methoxy-4,4,12-trimethyl-3,13-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-14-one
3-hydroxy-2-[(1-hydroxyethylidene)amino]-n-(2,3,5-trihydroxy-6-methyloxan-4-yl)propanimidic acid
4-[3-(acetyloxy)prop-1-en-1-yl]-2-methoxyphenyl 2-methylpropanoate
methyl (1s,3r,5r,8e,11r)-3-methyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-ene-8-carboxylate
(3s)-12,14-dihydroxy-3-methyl-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecine-1,9-dione
8-[(2s)-2-hydroxy-3-methoxy-3-methylbutyl]-7-methoxychromen-2-one
(3r)-12,14-dihydroxy-3-methyl-4,6,7,8,9,10-hexahydro-3h-2-benzoxacyclododecine-1,5-dione
(8r)-8-[(2s)-1,2-dihydroxypropan-2-yl]-6-methoxy-8h,9h-furo[2,3-h]chromen-2-one
9,10-dihydroxy-5-methoxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
1,4,7,8-tetrahydroxy-1,4a-dimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
(2e)-3-{3-methoxy-4-[(3-oxohexyl)oxy]phenyl}prop-2-enoic acid
(2r,3r,4s,5s,6r)-2-{[(2s,3s,4s)-3-hydroxy-2-methyl-3,4-dihydro-2h-pyran-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
12,14-dihydroxy-3-methyl-4,5,6,8,9,10-hexahydro-3h-2-benzoxacyclododecine-1,7-dione
6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-one
(6s)-6-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-5,6-dihydropyran-2-one
4,4-dimethyl-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxolan-2-one
8-hydroxy-7-{[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}-6-methoxychromen-2-one
12-hydroxy-8-methyl-3-methylidene-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadec-13(16)-ene-4,14-dione
(1s,2r,6r,7z,11e,13r)-8-(hydroxymethyl)-13-methoxy-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,11-dien-4-one
5,9-dimethyl-13-methylidene-12-oxo-4,11-dioxatricyclo[8.3.0.0³,⁵]tridec-8-en-7-yl acetate
6-(3-hydroxy-2-methoxy-3-methylbutyl)-7-methoxychromen-2-one
(5z)-5-[(2r,3r)-2,3-dihydroxy-1-methoxy-3-phenylpropylidene]-4-methoxyfuran-2-one
(2r)-5-hydroxy-7-(hydroxymethyl)-2-methyl-2-[(2s)-5-oxooxolan-2-yl]-3h-1-benzopyran-4-one
(2r,3r,4s,5s,6r)-2-{[(1r,4s,6s)-4,6-dihydroxycyclohex-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,3r,5s,8s,9r,12s,13r)-1-hydroxy-13-methyl-14-(prop-1-en-2-yl)-4,7,10-trioxapentacyclo[6.4.1.1⁹,¹².0³,⁵.0⁵,¹³]tetradecane-6,11-dione
5,7-dihydroxy-8-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-2-(hydroxymethyl)chromen-4-one
(1r,6s,8r,12s,15s)-6-methoxy-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadec-2-ene-4,13-dione
7-(2-hydroxy-3,3-dimethylbutoxy)-6-methoxychromen-2-one
methyl (3as,11ar)-10-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
[(2s)-2-[(2s)-2-hydroxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1h-pyrrole-2-carboxylate
8-hydroxy-7-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}-6-methoxychromen-2-one
(2r)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhept-5-enoic acid
3,4-dimethoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-3h-2-benzofuran-1-one
(2r)-2-hydroxy-2-methyl-3,4-dihydro-1h-tetraphene-7,12-dione
methyl 2-(4a,8-dimethyl-3,7-dioxo-2,4-dihydro-1h-naphthalen-2-yl)-2-hydroxypropanoate
2-[(4,6-dihydroxycyclohex-2-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1,4-dimethyl (2z)-2-(4-hydroxyphenyl)-3-(2-methylpropyl)but-2-enedioate
3-oxohexyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
2-[(2r,5z)-1,7-dihydroxy-6-methylhept-5-en-2-yl]-1-benzofuran-5,6-diol
(4r)-11,13-dihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione
(1r,2e,6e)-7-methyl-1-[(3r)-4-methylidene-5-oxooxolan-3-yl]-8-oxoocta-2,6-dien-1-yl acetate
methyl 2-formyl-3-hydroxy-6-methoxy-5-methyl-4-(3-methylbut-2-en-1-yl)benzoate
6-[(2r)-3-hydroxy-2-methoxy-3-methylbutyl]-7-methoxychromen-2-one
(3as,4s,4ar,7as,8r,9as)-8-methyl-3-methylidene-2,5-dioxo-octahydro-3ah-azuleno[6,5-b]furan-4-yl acetate
4-[(1s)-1-(acetyloxy)prop-2-en-1-yl]-2-methoxyphenyl 2-methylpropanoate
3-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)propanoic acid
2-{2-[(acetyloxy)methyl]oxiran-2-yl}-5-methylphenyl 2-methylpropanoate
7-[(2r)-2-hydroxy-3,3-dimethylbutoxy]-6-methoxychromen-2-one
2-[(2r)-2-[(acetyloxy)methyl]oxiran-2-yl]-5-methylphenyl 2-methylpropanoate
1-(2,5-dihydroxyphenyl)-3-[(3s)-6,6-dimethyl-1,2-dioxan-3-yl]but-3-en-1-one
(1s,7s,8s,9s,12s,16r)-8-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-2-ene-4,11-dione
5-{3-methyl-5-[(1e)-prop-1-en-1-yl]-1-benzofuran-2-yl}-2h-1,3-benzodioxole
(1s,2r,4r,9r,10s,14s,17r)-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadecane-7,15-dione
methyl (2e)-3-[(2s)-2-(2-hydroxypropan-2-yl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
methyl 10-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
methyl 2-[(1s,3z,5z,7s,10r)-7-hydroxy-6,10-dimethyl-2-oxo-11-oxabicyclo[8.1.0]undeca-3,5-dien-3-yl]prop-2-enoate
2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhept-5-enoic acid
(1r,2r)-2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methylcyclopent-3-en-1-yl 4-hydroxybenzoate
[(2s)-2-[(2r)-2-hydroxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1h-pyrrole-2-carboxylate
3-{3-methoxy-4-[(3-oxohexyl)oxy]phenyl}prop-2-enoic acid
1-(5,7,8-trimethoxy-2,2-dimethylchromen-6-yl)ethanone
5-hydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-methylchromen-4-one
(2s)-3-hydroxy-2-[(1-hydroxyethylidene)amino]-n-[(2r,3r,4s,5s,6r)-2,3,5-trihydroxy-6-methyloxan-4-yl]propanimidic acid
11-methyl-3,5-dioxa-11,13-diazapentacyclo[10.8.1.0²,⁶.0⁸,²¹.0¹⁵,²⁰]henicosa-1(21),2(6),7,13,15,17,19-heptaene
C18H16N2O2 (292.12117159999997)
(3r)-6,8-dihydroxy-3-{[(2s,6s)-6-methyloxan-2-yl]methyl}-3,4-dihydro-2-benzopyran-1-one
(1as,6s,7r,7ar,7br)-1a-acetyl-7,7a-dimethyl-2-oxo-4h,5h,6h,7h,7bh-naphtho[1,2-b]oxiren-6-yl acetate
1-(2,5-dihydroxyphenyl)-3-(6,6-dimethyl-1,2-dioxan-3-yl)but-3-en-1-one
9-(3-methylbut-2-en-1-yl)phenazine-1-carboxylic acid
C18H16N2O2 (292.12117159999997)
(12s)-11-methyl-3,5-dioxa-11,13-diazapentacyclo[10.8.1.0²,⁶.0⁸,²¹.0¹⁵,²⁰]henicosa-1(21),2(6),7,13,15,17,19-heptaene
C18H16N2O2 (292.12117159999997)
3a,5-dihydroxy-9a-methoxy-4a,5-dimethyl-3-methylidene-2h,4h-naphtho[2,3-b]furan-6-one
4-({5-[(4-hydroxyphenyl)methyl]pyrazin-2-yl}methyl)phenol
C18H16N2O2 (292.12117159999997)
3-(5,8-dimethoxy-2,2-dimethylchromen-6-yl)propanoic acid
9-hydroperoxy-5-methoxy-6,9-dimethyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2-one
[2-(2-hydroxy-5-oxopyrrolidin-1-yl)-2,5-dihydrofuran-3-yl]methyl 1h-pyrrole-2-carboxylate
(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl (2z)-2-(hydroxymethyl)but-2-enoate
1-(5,6,7-trimethoxy-2,2-dimethylchromen-8-yl)ethanone
4-(2-hydroxypropan-2-yl)-7-methoxy-11-methyl-3,12-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-13-one
methyl 3-[2-(2-hydroxypropan-2-yl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
[(2r)-2-[(2r)-2-hydroxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1h-pyrrole-2-carboxylate
(4s,5s)-5-[(3s)-3-methoxy-2-methyl-5-oxocyclopent-1-en-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one
(2r,3r,4s,5s,6r)-2-{[(2s,3r,4s)-3-hydroxy-2-methyl-3,4-dihydro-2h-pyran-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
12,14-dihydroxy-3-methyl-4,6,7,8,9,10-hexahydro-3h-2-benzoxacyclododecine-1,5-dione
1a-acetyl-7,7a-dimethyl-2-oxo-4h,5h,6h,7h,7bh-naphtho[1,2-b]oxiren-6-yl acetate
(1r,7s,9r,10s,12s,14r)-7-methoxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.0¹,¹⁴.0³,⁷.0¹⁰,¹²]pentadec-3-en-5-one
5-(3-methoxy-2-methyl-5-oxocyclopent-1-en-1-yl)-3-methylidene-4-(3-oxobutyl)oxolan-2-one
3-(5,6-dimethoxy-2,2-dimethylchromen-8-yl)propanoic acid
8-methyl-3-methylidene-2,5-dioxo-octahydro-3ah-azuleno[6,5-b]furan-4-yl acetate
(5e)-5-[2-(4-methoxy-2-oxo-5h-pyrrol-1-yl)-2-oxoethylidene]-3-(methoxymethyl)-1-methylpyrrol-2-one
6-[(2r)-2-hydroxy-3-methoxy-3-methylbutyl]-7-methoxychromen-2-one
6-methoxy-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadec-2-ene-4,13-dione
(5r,12s)-5-hydroxy-8-methoxy-4,4,12-trimethyl-3,13-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-14-one
(1r,4r,4as,10ar)-1,4,7,8-tetrahydroxy-1,4a-dimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
methyl (1s,3r,5s,8e,11r)-3-methyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-ene-8-carboxylate
5-[3-methyl-5-(prop-1-en-1-yl)-1-benzofuran-2-yl]-2h-1,3-benzodioxole
(3r)-12,14-dihydroxy-3-methyl-4,5,6,8,9,10-hexahydro-3h-2-benzoxacyclododecine-1,7-dione
(2r,3r,4s,5s,6r)-2-{[(1r,2s,3r,5s)-2-hydroxy-3-methyl-6-oxabicyclo[3.1.0]hexan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
6-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one
4-methyl-3-oxopentyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(1s,7s,9r,10r,12r,14s)-7-methoxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.0¹,¹⁴.0³,⁷.0¹⁰,¹²]pentadec-3-en-5-one
(3as,5r,9s,9as,9bs)-9-hydroperoxy-5-methoxy-6,9-dimethyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2-one
(3r)-4,4-dimethyl-3-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}oxolan-2-one
(4s,5s)-5-(3-methoxy-2-methyl-5-oxocyclopent-1-en-1-yl)-3-methylidene-4-(3-oxobutyl)oxolan-2-one
5-hydroxy-4-(1h-indol-3-yl)-3-(3-methylimidazol-4-yl)pyrrol-2-one
(1s,2r,4s,11s,13r)-11-hydroxy-4-methoxy-2,7,11-trimethyl-5,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁴,⁸]tetradeca-7,9-dien-6-one
(1s,3s,4s,5r,7s,8s,11r)-10,10-dimethyl-5-(3-methylbut-3-en-1-yn-1-yl)-2,6,9-trioxatetracyclo[6.4.0.0¹,³.0⁵,⁷]dodecane-4,11-diol
8-(hydroxymethyl)-13-methoxy-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,11-dien-4-one
4-methyl-3-oxopentyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(1s,2r,3s,5r,6s,9r)-2-hydroxy-3-methoxy-3-methyl-9-[(1e,3e)-penta-1,3-dien-1-yl]-4,11-dioxatricyclo[4.3.2.0¹,⁵]undec-7-en-10-one
hydroxy(oxo){[(3s)-4,7,7-trimethyl-1-oxo-3h,6h,8h-indeno[4,5-c]furan-3-yl]methoxy}azanium
(4as)-4a-hydroxy-1,4-dimethyl-2h,3h-cyclopenta[b]anthracene-5,10-dione
3-[2-oxo-6-(1,2,3,4-tetrahydroxybutyl)morpholin-3-yl]propanimidic acid
(2r,3r,4s,5s,6r)-2-{[(2r,3r,4r)-3-hydroxy-2-methyl-3,4-dihydro-2h-pyran-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3s)-2-[(1r,6s,7r,8s)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-6-oxooxan-3-yl acetate
(2s,3r,4s,5r,6r)-2-{[(1r,4s,6s)-4,6-dihydroxycyclohex-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 2-(6-ethenyl-7a-hydroxy-3,6-dimethyl-2-oxo-5,7-dihydro-4h-1-benzofuran-5-yl)prop-2-enoate
2-{3-[(acetyloxy)methyl]oxiran-2-yl}-5-methylphenyl 2-methylpropanoate
4-[1-(acetyloxy)prop-2-en-1-yl]-2-methoxyphenyl 2-methylpropanoate
(1r,3s,5r,7r,8z,10r)-5,9-dimethyl-13-methylidene-12-oxo-4,11-dioxatricyclo[8.3.0.0³,⁵]tridec-8-en-7-yl acetate
3-benzyl-6-[(4-hydroxyphenyl)methyl]-1h-pyrazin-2-one
C18H16N2O2 (292.12117159999997)