Exact Mass: 320.1922
Exact Mass Matches: 320.1922
Found 500 metabolites which its exact mass value is equals to given mass value 320.1922
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Iprovalicarb
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2936 EAWAG_UCHEM_ID 2936; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 482; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9259; ORIGINAL_PRECURSOR_SCAN_NO 9255 CONFIDENCE standard compound; INTERNAL_ID 482; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9307; ORIGINAL_PRECURSOR_SCAN_NO 9306 CONFIDENCE standard compound; INTERNAL_ID 482; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9221; ORIGINAL_PRECURSOR_SCAN_NO 9219 CONFIDENCE standard compound; INTERNAL_ID 482; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9260; ORIGINAL_PRECURSOR_SCAN_NO 9257 CONFIDENCE standard compound; INTERNAL_ID 482; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9324; ORIGINAL_PRECURSOR_SCAN_NO 9321 CONFIDENCE standard compound; INTERNAL_ID 482; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9303; ORIGINAL_PRECURSOR_SCAN_NO 9301
2-((2E)-3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-1,4-benzenediol
[8]-Gingerdione
[8]-Gingerdione is found in herbs and spices. [8]-Gingerdione is a constituent of Zingiber officinale (ginger). Constituent of Zingiber officinale (ginger). [8]-Gingerdione is found in herbs and spices.
10-Acetylpanaxytriol
10-Acetylpanaxytriol is found in tea. 10-Acetylpanaxytriol is found in ginseng roots. Found in ginseng roots
Oryzalide A
Oryzalide A is found in cereals and cereal products. Oryzalide A is isolated from rice leaves. Isolated from rice leaves. Oryzalide A is found in cereals and cereal products.
Oryzalide B
Oryzalide B is found in cereals and cereal products. Oryzalide B is isolated from rice leaves. Isolated from rice leaves. Oryzalide B is found in cereals and cereal products.
5'-Carboxy-alpha-chromanol
5-carboxy-alpha-tocopherol is a dehydrogenation carboxylate product of 5-hydroxy-a-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. The tocopherols ( a-tocopherol , b-tocopherol ,r-tocopherol and d-tocopherol ) and their corresponding tocotrienols are synthesized by plants and have vitamin E antixoidant activity (see pathway vitamin E biosynthesis ). They differ in the number and location of methyl groups on the chromanol ring. The naturally occurring form of a-tocopherol is (2R,4R,8R)-a-tocopherol (synonym (R,R,R)-a-tocopherol). Synthetic a-tocopherols are a racemic mixture of eight different R and S stereoisomers. Only the 2R forms are recognized as meeting human requirements. The in vivo function of vitamin E is to scavenge peroxyl radicals via its phenolic (chromanol) hydroxyl group, thus protecting lipids against free radical-catalyzed peroxidation. The tocopheryl radical formed can then be reduced by reductants such as L-ascorbate. Other major products of a-tocopherol oxidation include α-tocopherylquinone and epoxy-a-tocopherols. The metabolites a-tocopheronic acid and its lactone, known as the Simon metabolites, are generally believed to be artefacts. In addition to these oxidation products, the other major class of tocopherol metabolites is the carboxyethyl-hydroxychromans.These metabolites are produced in significant amounts in response to excess vitamin E ingestion. Vitamin E is fat-soluble and its utilization requires intestinal fat absorption mechanisms. It is secreted from the intestine into the lymphatic system in chylomicrons which subsequently enter the plasma. Lipolysis of these chylomicrons can result in delivery of vitamin E to tissues, transfer to high-density lipoproteins (and subsequently to other lipoproteins via the phospholipid exchange protein), or retention in chylomicron remnants. These remnants are taken up by the liver. Natural (R,R,R)-α-tocopherol and synthetic 2R-α-tocopherols are then preferentially secreted from the liver into plasma as a result of the specificity of the α-tocopherol transfer protein. This protein, along with the metabolism of excess vitamin E in the liver and excretion into urine and bile, mediate the supply of a-tocopherol in plasma and tissues. 5-carboxy-alpha-tocopherol is a dehydrogenation carboxylate product of 5-hydroxy-a-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
11-Meo-fes
2-(4-(Piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
2,3-Thioepoxy Madol
1,3,7-Trimethyl-8-nonylpurine-2,6-dione
Arginylphenylalaninamide
Phenol, 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (E)-
(8R,9S,10R,13S,14S,17S)-2,2,17-Trihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
(E,E)-(-)-2-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-1,3-butadiene-1,4-diol diacetate
Coralloidin D
(E,E)-2-[2-(2,6,6-Trimethyl-2-cyclohexen-1-yl)ethyl]-1,3-butadiene-1,4-diol diacetate
10beta-Hydroxy-6beta-isobutyryl-furanoeremophilane
Monacolin J
A polyketide that is monacolin L bearing an additional hydroxy substituent at position 8. Monacolin J is an inhibitor of cholesterol biosynthesis, and inhibits the activity of HMG-CoA reductase.
4-(4-Ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
n,n,n,n-tetrakis(2-hydroxyethyl)adipamide
CONFIDENCE standard compound; INTERNAL_ID 4064 INTERNAL_ID 4064; CONFIDENCE standard compound
3,9-di(cyclohex-3-en-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
(3beta,16alpha)-3,16,18-Trihydroxyandrost-5-en-17-one
rel-2R-Methyl-5S-acetoxy-4R-furanogermacr-1(10)Z-en-6-one
4-methoxy-3,5-bis-((E)-3-hydroxy-3-methyl-1-butenyl)benzoate
1-[2-[(3,7-dimethyl-2,6-octadienyl)oxy]-4,6-dihydroxyphenyl]-2-hydroxyethanone
anomalone D|methyl 8-((1S,5R)-4-oxo-5-((E)-4-oxopent-2-enyl)oxocyclopent-2-enyl)octanoate
1-[4-[(3,7-dimethyl-2,6-octadienyl)oxy]-2,6-dihydroxyphenyl]-2-hydroxyethanone
(Z)-13,14-dihydroxy-7-oxo-caryophylla-2(12),5-dien-13-isobutyrate
4-h ydroxy-12-(3 ,4-methylenedioxyphen yl)-2-dodecanone
(3E,5E,9E)-8,11-Diacetoxy-3,7,11-trimethyldodeca-1,3,5,9-tetraene
Butanoyl-15-Hydroxy-3,11(13)-eudesmadien-12-oic acid
(5SR,8SR,9SR,10RS,13SR)-3-hydroxy-16-nor-2-oxodolabr-3-en-15-oic acid
13alpha,16alpha,17-trihydroxy-9alpha-methyl-19,20-di-nor-kauran-4-en-15-one|13??,16??,17-Trihydroxy-9??-methyl-19,20-di-nor-kauran-4-en-15-one
(4I<<)-2EC,15I<<-dihydroxy-19-norkaur-16-en-18-oic acid
(1R,2R,3aR,4S,7aS)-3a,4-dimethyl-4-methylene-2-oxodecahydro-2H-spiro[furan-3,2-indene]-1-yl isobutyrate|bakkenolide I|bakkenolide-I
(5R)-5-(4-{(1S,5E)-5-{[(2S,3S)-3-ethyloxiran-2-yl]methylidene}-1-hydroxy-4-oxocyclopent-2-en-1-yl)butyl}dihydrofuran-2(3H)-one
(ent-2alpha,16alpha)-2-Hydroxy-15-oxo-18-nor-19-kauranoic acid
methyl ent-15,16-dinorisocopal-12-en-13-ol-19-oate
Me ester-(6E,9Z,11E,13E)-9-Formyl-15-hydroxy-6,9,11,13-heptadecatetraenoic acid
methyl 2-(1beta-geranyl-5beta-hydroxy-2-oxocyclohex-3-enyl)acetate|Methyl 2-(1??-geranyl-5??-hydroxy-2-oxocyclohex-3-enyl)acetate
1beta,14,15-trihydroxy-13-methoxy-8,11,13-podocarpatrien-7-one
(1R,1aR,1bS,4R,5R,5aS,6aR)-decahydro-5a-methyl-1-(1-methylethyl)-2-methylidenecyclopropa[a]indene-4,5-diyl diacetate|(1R,2R)-diacetoxycycloax-4(15)ene|(1S,3R,4R,5R,6S,9R,10R)-9,10-diacetoxy-1-methyl-4-(1-methylethyl)-7-methylidenetricyclo[4.4.0.0(3.5)]decane
(10alphaH)-1alpha-hydroxy-6beta-(propanoyloxy)furanoeremophilan-9-one|1alpha-hydroxy-6beta-propionyloxy-10alphaH-9-oxofuranoeremophilane
2-ethyl-10-hydroxy-2,3,4,5,6,7-hexahydro-7-oxobenzoxonin-8-acetic acid ethyl ester|phomopsin A
2alpha,3alpha-dihydroxyandrostan-16-one 2beta,19-hemiketal
1beta-hydroxy-6alpha-isobutyryloxy-9-noreremophil-7(11),8(10)-dien-8(12)-olide
6-O-methyl-3-epidiatretol|lepistamide C|rel-(3R,6R)-3,6-dimethoxy-3-(2-methylpropyl)-6-(phenylmethyl)piperazine-2,5-dione
7beta,8alpha,9alpha,-trihydroxy-20-norisopimara-5(10),15-dien-6-one|smardaesidin F
(4S,5R,9S,10R)-methyl 19-hydroxy-15,16-dinorlabda-8(17),11E-dien-13-oxo-18-oate
(1R,2S,3R,4aR,5R,8aR)-5-[2-(furan-3-yl)ethyl]decahydro-1-(hydroxymethyl)-4a-methyl-6-methylidenenaphthalene-2,3-diol|austroeupatol
(5SR,8SR,9SR,10RS,13SR)-18-hydroxy-16-nor-3-oxodolabr-4(18)en-15-oic acid|tagalsin R
(4S,4aR,5S,9aR)-2,4,4a,5,6,7,9,9a-octahydro-9a-methoxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl acetate
(8R)-2-[(2-methylpropanoyl)oxy]eremophil-7(11)-en-12,8-olide
(4S,4aR,5R,6S,9aR)-6-(acetyloxy)-4a,5,6,7,8,9a-hexahydro-4-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|3beta-acetoxy-6beta-methoxyeremophila-7(11),9(10)-dien-12,8beta-olide
(5R)-5-(4-{(1S,5R)-1-hydroxy-4-oxo-5-[(3E)-2-oxopent-3-en-1-yl]cyclopent-2-en-1-yl}butyl)dihydrofuran-2(3H)-one
methyl ent-2,4-seco-15,16-epoxy-4-oxo-3,19-dinorbeyer-15-en-2-oate
2,12-dioxo-A-norclerod-13(16)-en-15-oic acid|pentandranoic acid B
9beta-propionyloxy-1alpha,10beta-epoxyhaageanolide
7-Methoxy-8-(2-ethoxy-3-hydroxy-3-methylbutyl)coumarin
(+)-(1betaH,7E)-6-beta,11beta-dihydroxynorverticilla-4(18),7-diene-10,12-dione|(1R,4E,6S,11R)-1,6-dihydroxy-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadec-4-ene-2,14-dione|cespihypotin W
4-[(3aS,7S,9aR)-3,3a,5,6,7,8,9,9a-octahydro-7-hydroxy-3a-methyl-8-oxocyclopenta[b]chromen-1-yl]pentanoic acid|TCA A
6beta-isobutyryloxy-9beta-hydroxy-1beta,10beta-epoxyfuroeremophilane
(+)-miliusane X/XI|9beta-hydroxy-1beta-[4-(3,3-dimethyl-1beta,2beta/1alpha,2beta-oxiranyl)-2-methyl-but-1-enyl]-2-oxa-spiro[4.5]dec-7-ene-3,6-dione
2,3-Dihydro-2,3-Dihydroxy-5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran|5-acetyl-2-(2-hydroxyisopropyl)-7-(2,3-dihydroxy-3-methyl-n-butyl)-benzofuran
C18H24O5_Propanoic acid, 2-methyl-, 5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester
3,9-dicyclohex-3-enyl-2,4,8,10-tetraoxaspiro[5.5]undecane
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1070
oryzalide A
oryzalide B
bhas#10
An (omega-1)-hydroxy fatty acid ascaroside that is ascr#10 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans as well as the sour paste nematode, Panagrellus redivivus.
bhos#10
An omega-hydroxy fatty acid ascaroside that is oscr#10 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
4-(3-HYDROXY-2-PHENYL-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Denbufylline
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
4-BENZYL-1-(TERT-BUTOXYCARBONYL)PIPERAZINE-2-CARBOXYLIC ACID
1-[(TERT-BUTYL)OXYCARBONYL]-3-PYRIDIN-2-YLMETHYLPIPERIDINE-3-CARBOXYLIC ACID
3-N-BOC-AMINO-1-[2-AMINO-1-(2-AMINO-PHENYL)-ETHYL]-PYRROLIDINE
3-N-BOC-AMINO-1-[2-AMINO-1-(3-AMINO-PHENYL)-ETHYL]-PYRROLIDINE
3-N-BOC-1-[2-AMINO-1-(4-AMINO-PHENYL)-ETHYL]-PYRROLIDINE
methyl 3-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-y l)phenyl]propanoate
6-(7-methyl-4-piperazin-1-yl-1H-quinazolin-2-ylidene)cyclohexa-2,4-dien-1-one
2-(Boc-Amino)pyridine-3-boronic acid pinacol ester
1-benzyl 2-(tert-butyl) tetrahydro-1,2-pyridazinedicarboxylate
(S)-TERT-BUTYL 4-BENZYL-2-(2-HYDROXYETHYL)PIPERAZINE-1-CARBOXYLATE
4-{4-[(tert-butoxy)carbonyl]-3-Methylpiperazin-1-yl}benzoic acid
(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl)boronic acid
tert-Butyl (5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)carbamate
tert-butyl 4-((benzylamino)Methyl)-4-hydroxypiperidine-1-carboxylate
Piperazine-1,4-dicarboxylic acid benzyl ester tert-butyl ester
1-((1,1-DIMETHYLETHOXY)CARBONYL)-4-(3-(PROPYLAMINO)-2-PYRIDYL)-PIPERAZINE
1-((1,1-DIMETHYLETHOXY)CARBONYL)-4-(3-((1-METHYLETHYL)AMINO)-2-PYRIDYL)PIPERAZINE
BENZYL(3S)-1-(CYCLOPROPYLAMINO)-2-HYDROXY-1-OXOHEXAN-3-YLCARBAMATE
TERT-BUTYL (3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-4-YL)CARBAMATE
METHYL 3-ISOPROPOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
1,3-Bis[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-2-propanol
(E)-3-[2-(Pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine
1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylic acid
1-[(TERT-BUTYL)OXYCARBONYL]-3-PYRIDIN-4-YLMETHYLPIPERIDINE-3-CARBOXYLIC ACID
tert-butyl N-[1-(benzylamino)-4-methyl-1-oxopentan-2-yl]carbamate
tert-butyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] carbonate
4-fluoro-1-[2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
4-Fluorophenyl trans-4-heptyl-1-cyclohexanecarboxylate
tert-Butyl 2,7-diazaspiro[4.5]decane-2-carboxylate
(4-((4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)METHYL)PHENYL)BORONIC ACID
1-[(TERT-BUTYL)OXYCARBONYL]-3-PYRIDIN-3-YLMETHYLPIPERIDINE-3-CARBOXYLIC ACID
Niraparib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XK - Poly (adp-ribose) polymerase (parp) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
(3beta,7alpha,15alpha)-3,7,15-Trihydroxy-androst-5-en-17-one
tert-butyl 4-[[4-(aminomethyl)phenyl]methoxy]piperidine-1-carboxylate
1-Ethyl-3-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
4-[6-(Guanidino)pyridin-3-yl]piperazine-1-carboxylic acid tert-butyl ester
N-tert-Butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
N-butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid: propan-2-amine
tert-butyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] carbonate
TRANS-4-BOC-AMINO-1-BENZYLPYRROLIDINE-3-CARBOXYLIC ACID
Phenol,4,4-(octahydro-4,7-methano-5H-inden-5-ylidene)bis-
2-t-Butoxycarboxyphenylboronic acid, pinacol ester
1-(5-SEC-BUTYL-2-(METHOXYMETHOXY)PHENYL)NAPHTHALENE
Imidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one, 2-[4-[(dimethylamino)methyl]phenyl]-5,6-dihydro-
(3R,8R)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxynonanoic acid
(3R)-9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxynonanoic acid
(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
1-Amino-15-oxo-4,7,10-trioxa-14-azaoctadecan-18-oic acid
1-[Bis(prop-2-enyl)amino]-3-(9-carbazolyl)-2-propanol
12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one
(Z)-2-cyano-3-(7-methyl-2-piperidin-1-ylquinolin-3-yl)prop-2-enamide
3-(6-Aminopyridin-3-YL)-N-methyl-N-[(1-methyl-1H-indol-2-YL)methyl]acrylamide
60410-89-1
9,13,13-Trimethyl-3-oxo-2-oxatetracyclo[7.6.1.01,6.012,15]hexadecane-5-carboxylic acid
5-(6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL)-2-METHYL-PENTANOIC ACID
Carbamic acid, ((1S)-2-methyl-1-((((1R)-1-(4-methylphenyl)ethyl)amino)carbonyl)propyl)-, 1-methylethyl ester
(1R,8R,9S,13R,15S)-8,15-dihydroxy-5,5,9-trimethyl-14-methylidene-7-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
2-[(3aS,5aS,6S,9aS,9bS)-6-acetyl-3a,6-dimethyl-3-oxo-1,2,4,5,5a,7,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-yl]acetic acid
11-Meo-fes
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4-[(Z)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenol
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
(8R,9S,10R,13S,14S,17S)-2,2,17-Trihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
[3-Carboxy-2-(3-carboxy-3-hydroxy-4-methylpentanoyl)oxypropyl]-trimethylazanium
Atractyligenin
A diterpenoid isolated from coffee silverskin. It inhibits cutaneous photoaging.
5,6-dimethyl-N-[2-methyl-2-(4-morpholinyl)propyl]-4-thieno[2,3-d]pyrimidinamine
N-[2-(2-pyridinyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide
N-(2-furylmethyl)-3-[(2s,5as,8ar)-1-methyl-5-oxodecahydropyrrolo[3,2-e][1,4]diazepin-2-yl]propanamide
2,4-Dihydroxy-3-methyl-6-(2-oxoundecyl)benzaldehyde
A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 3 and 6 have been replaced by a methyl and 2-oxoundecyl groups, respectively.
3-[cyclopropylmethyl(propyl)amino]-N-(3,5-dimethoxyphenyl)propanamide
[(2R,3R,6S)-3-amino-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
[(2S,3S,6R)-3-amino-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
cyclopropyl-[(1S,5R)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
isopropylammonium 2-[(R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]nicotinate
isopropylammonium 2-[(S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]nicotinate
(9R,17S)-9-fluoro-11,17-dihydroxy-10,17-dimethyl-2,6,7,8,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
(3R,9R)-9-fluoro-10,17,17-trimethyl-1,2,3,6,7,8,11,12,15,16-decahydrocyclopenta[a]phenanthrene-3,11-diol
(5S,9S,17R)-9-fluoro-17-hydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
(5R,9S,17R)-9-fluoro-17-hydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
(9S,17R)-9-fluoro-17-hydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
1,2-Benzenedicarboxylic acid isopropyl 2-ethylhexyl ester
3,4-Dihydro-2,5,7,8-tetramethyl-6-hydroxy-2H-1-benzopyran-2-propanoic acid isopropyl ester
(1R,6R,9R)-9,13,13-trimethyl-3-oxo-2-oxatetracyclo[7.6.1.01,6.012,15]hexadecane-5-carboxylic acid
2,3-dihydroxypropyl (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[1-Carboxy-3-(2,3-diacetyloxypropoxy)propyl]-trimethylazanium
[1-Carboxy-3-(2-hydroxy-3-pentanoyloxypropoxy)propyl]-trimethylazanium
Isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate
2-(4-(Piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
5H-1b,10-Methanooxireno[6,7]cyclohepta[1,2-h][2]benzopyran-5-one, dodecahydro-7-hydroxy-4,4,7a,10a-tetramethyl-, (1aS,1bS,3aR,7S,7aR,7bS,10S,10aR)-
A-381393
A-381393 is a potent, selective, brain penetrate dopamine D4 receptor antagonist, with Kis of 1.5, 1.9 and 1.6 nM for human dopamine D4.4, D4.2, and D4.7 receptor, respectively, >2700-fold selectivity over D1, D2, D3 and D5 dopamine receptors. A-381393 shows moderate affinity for 5-HT2A (Ki, 370 nM)[1].
15,16-dihydroxy-5-methyl-17-oxapentacyclo[14.2.1.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadecan-7-one
7-hydroxy-2,4a,8,8a-tetramethyl-6-oxo-1,3,4,4b,5,9,10,10a-octahydrophenanthrene-2-carboxylic acid
9-hydroxy-6,10-dimethyl-3-methylidene-4-(2-methylpropoxy)-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
4-hydroxy-5a-methyl-3,9-dimethylidene-6-(2-methylpropoxy)-octahydronaphtho[1,2-b]furan-2-one
(1r,9r,10r,13s,14s)-13,14-dihydroxy-14-(hydroxymethyl)-5,10-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-4-en-15-one
(1s,4ar,5s,8ar)-5-(3-carboxy-3-methylprop-2-en-1-yl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
(4s,4as,5z,7r,8s)-8-(acetyloxy)-4,4a,6-trimethyl-3,4,7,8,9,10-hexahydro-2h-benzo[8]annulen-7-yl acetate
methyl 8-[(1r,5e)-1-hydroxy-4-oxo-5-[(2e)-pent-2-en-1-ylidene]cyclopent-2-en-1-yl]octanoate
5-hydroxy-2-methylidene-4-[(6z)-tetradec-6-enoyl]furan-3-one
(1e,3e)-4-(acetyloxy)-2-{2-[(1r)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl}buta-1,3-dien-1-yl acetate
(4r,5r,7r,9r,10r,13s,14r)-14-formyl-7-hydroxy-9-methyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
(1r,5s,7s)-7-(acetyloxy)-2,8-dimethylidene-5-(prop-1-en-2-yl)cyclodecyl acetate
(4s,4as,7r,8s)-8-(acetyloxy)-4,4a,6-trimethyl-3,4,7,8,9,10-hexahydro-2h-benzo[8]annulen-7-yl acetate
5-[(1s,3ar,4s,5r,7ar)-1,4,5,7a-tetramethyl-2-oxo-hexahydroinden-4-yl]-3-methylidene-4-oxopentanoic acid
9,10-dihydroxyheptadec-1-en-11,13-diyn-8-yl acetate
5-[(1r,4s,4as,6s,8r,8ar)-6-(hydroxymethyl)-4-methoxy-2,8-dimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
methyl 2-{4-acetyl-5,9-dimethyl-11-oxatetracyclo[7.3.1.0¹,⁶.0¹⁰,¹²]tridecan-5-yl}acetate
(4s,4as,7s,8s)-8-(acetyloxy)-4,4a,6-trimethyl-3,4,7,8,9,10-hexahydro-2h-benzo[8]annulen-7-yl acetate
4-(acetyloxy)-2-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethyl]buta-1,3-dien-1-yl acetate
(2s,4as,4br,8z,8as,10as)-8-(hydroxymethylidene)-2,4a,8a-trimethyl-7-oxo-octahydro-1h-phenanthrene-2-carboxylic acid
6,9,10-trimethyl-8-(2-methylpropoxy)-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradeca-3(7),5-dien-2-ol
(1e,3e)-4-(acetyloxy)-2-{2-[(1s)-2,6,6-trimethylcyclohex-2-en-1-yl]ethyl}buta-1,3-dien-1-yl acetate
({5-butyl-7-oxo-decahydropyrrolo[2,1-j]quinolin-3-yl}methyl)sulfanylcarbonitrile
10,11-dihydroxy-8,15,15-trimethyl-4-methylidenebicyclo[9.3.1]pentadec-7-ene-6,12-dione
(1r,4s,8r,9s,10r,13r,14s)-8-hydroxy-5,5,9,14-tetramethyl-7,15-dioxapentacyclo[11.3.1.0¹,¹⁰.0⁴,⁹.0¹⁴,¹⁶]heptadecan-6-one
2-hydroxy-15-oxo-18-nor-19-kauranoic acid
{"Ingredient_id": "HBIN005716","Ingredient_name": "2-hydroxy-15-oxo-18-nor-19-kauranoic acid","Alias": "NA","Ingredient_formula": "C19H28O4","Ingredient_Smile": "NA","Ingredient_weight": "320.42","OB_score": "NA","CAS_id": "51107-83-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8628","PubChem_id": "NA","DrugBank_id": "NA"}
3,16,18-trihydroxyandrost-5-en-17-one
{"Ingredient_id": "HBIN006938","Ingredient_name": "3,16,18-trihydroxyandrost-5-en-17-one","Alias": "NA","Ingredient_formula": "C19H28O4","Ingredient_Smile": "NA","Ingredient_weight": "320.42","OB_score": "NA","CAS_id": "85922-89-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8449","PubChem_id": "NA","DrugBank_id": "NA"}