Exact Mass: 430.1839
Exact Mass Matches: 430.1839
Found 500 metabolites which its exact mass value is equals to given mass value 430.1839
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
ATHAMANTIN
Avizafone
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
Phenethyl rutinoside
Phenethyl rutinoside is found in citrus. Phenethyl rutinoside is isolated from Citrus unshiu (Satsuma mandarin Isolated from Citrus unshiu (Satsuma mandarin). Phenethyl rutinoside is found in citrus and pomegranate.
Armillarilin
Armillarilin is found in mushrooms. Armillarilin is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom). Armillarilin is found in mushrooms.
Melleolide H
Melleolide H is found in mushrooms. Melleolide H is a metabolite of Armillariella mellea (honey mushroom). Metabolite of Armillariella mellea (honey mushroom). Melleolide H is found in mushrooms.
Mammea E/BA
Mammea E/BA is found in fruits. Mammea E/BA is isolated from seeds of Mammea americana (mamey
Mammea E/BB
Mammea E/BB is found in fruits. Mammea E/BB is isolated from seeds of Mammea americana (mamey
Hypophyllanthin
(3-{[3-(2-Amino-2-Oxoethyl)-1-Benzyl-2-Ethyl-1h-Indol-5-Yl]oxy}propyl)phosphonic Acid
LY-311727 is a potent secretory non-pancreatic phospholipase A2 (sPLA2) inhibitor (IC50 <1 μM for group IIA sPLA2). sPLA2 is an important proinflammatory enzyme[1][2].
Nirtetralin
beta-Phenylethanol beta-D-rutinoside
Beta-phenylethanol beta-d-rutinoside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Beta-phenylethanol beta-d-rutinoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Beta-phenylethanol beta-d-rutinoside can be found in common grape, which makes beta-phenylethanol beta-d-rutinoside a potential biomarker for the consumption of this food product.
Hypophyllantin
Hypophyllanthin is a natural product found in Phyllanthus niruri and Phyllanthus urinaria with data available. See also: Phyllanthus amarus top (part of). Hypophyllanthin is a major lignan in Phyllanthus spp, with strong anti-inflammatory activity. Hypophyllanthin directly inhibits P-glycoprotein (P-gp) activity and did not interfere with multidrug resistance protein 2 (MRP2) activity[1][2].
Kadsulignan N
kadsulignan N is a natural product found in Kadsura japonica, Kadsura angustifolia, and Kadsura coccinea with data available.
5a-Hydroxy-2-isopropyl-4-(4-oxo-3(4H)-quinazolinyl)-4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione
(7S,8R,1S,2S,3R)-Delta8-2-acetoxy-3,5,3,4-tetramethoxy-1,2,3,4-tetrahydro-7.3,8.1-neolignan
8-O-(2,6-Diacetyl-beta-D-glucopyranoside)-(2E,4xi)-4,8-Dihydroxy-2-methyl-6-methylene-2-octenal
2-(2,4-Dihydroxy-6-pentyl-phenoxy)-4-methoxy-6-valeryl-benzoesaeure|2-(2,4-dihydroxy-6-pentyl-phenoxy)-4-methoxy-6-valeryl-benzoic acid|4.6-Dioxy-5-methoxy-2-n-amyl-3-n-valeryl-diphenylaether-carbonsaeure-(2)|4-Methoxy-6-(4.6-dihydroxy-2-pentyl-phenoxy)-2-valeryl-benzoesaeure|4-Methoxy-6-(4.6-dioxy-2-n-amyl-phenoxyl)-2-n-valeryl-benzoesaeure|Lobariol
dihydrocinnamyl alcohol 9-O-(6-O-alpha-L-arabinofuranosyl)-beta-D-glucopyranoside|junipercomnoside F
2alpha,13alpha-diacetoxy-10beta-hydroxy-2(3->20)-abeo-taxa-4(20),6,11-triene-5,9-dione
3alpha-senecioyloxy-6beta-methacryloyloxyivangustin
(1R,2R,4R)-4-<2-acetoxy-2-(3,4-dimethoxyphenyl)-1-methylethyl>-4,5-dimethoxy-2-(2-propenyl)cyclohexa-2,5-dien-1-one|(1R,2R,4R)-4-[2-acetoxy-2-(3,4-dimethoxyphenyl)-1-methylethyl]-4,5-dimethoxy-2-(2-propenyl)cyclohexa-2,5-dien-1-one
6beta-angeloyloxy-9beta-isobutyryloxy-8-epizinamultifluoride
rel-(1R,4R,5R,7R,8S)-Delta2,8-4-acetoxy-3,4,3,5-tetramethoxy-6-oxo-8.1,7.5-neolignan
2-phenylethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
nirtetralin
CID 13989913 is a natural product found in Phyllanthus niruri and Phyllanthus urinaria with data available.
theiferin|threo-(7R,8R)-7-acetoxy-3,4-dimethoxy-3,4-dimethoxy-Delta-8-8.O.6-neolignan
1alpha,6alpha-diacetoxy-5alpha,7beta-dihydroxy-14-methylvoucapane-8(14),9(11)-diene|caesalpin E
5alpha-hydroxy-1alpha,2alpha-diacetoxycass-8,11,13(15)-trien-16,12-olide|neocaesalpin AD
[8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate
Thiobiscephalosporolide A|thiobiscephalosporolide-A
1beta,7beta-diacetoxy-8beta,14beta-epoxy-ent-abieta-2(3),13(14)-dien-16,12-olide|gelomulide M
(-)-2beta-(3-methyl-1xi,2xi,3-trihydroxybutyl)-2-deoxybruceol
1,2,3,5,13-Pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole
1L-myo-inositol 1alpha,2alpha-diacetyl 3alpha-angaloyl 4beta-methylbutyryl 1(equatorial),5alpha,6beta
(3S,4S,5R)--5-[(3Z)-4,8-dimethylnona-3,7-dien-1-yl]-4,5-dihydro-4,8-dihydroxy-5-methyl-3H,5H-spiro[1,4-benzodioxepine-3,2-furan]-2,5-dione|ferulactone B
(2R,3S,5aS,9R,10S,12aR,12bR)-2,3,5a,6,9,10,12a,12b-octahydro-7,12a-dihydroxy-12b-methoxy-2,3,4,9,10,11-hexamethyl-5H-difuro[2,3-b:2,3-h]xanthen-5-one|penidicitrinin A
(3Z)-hexenyl-O-beta-D-tetraacetylglucopyranoside|(Z)-3-hexenyl-(tetra-O-acetyl)-beta-D-glucopyranoside
3-O-acetyl-14-O-benzoylminwanensin|rel-(4R,5S,6S,6aR,7S,9R,9aR)-7-(acetyloxy)-6-[(benzoyloxy)methyl]-hexahydro-6a-hydroxy-5,6,9-trimethyl-4H-4,9a-methanocyclopent[d]oxocin-2(1H)-one
[1-(3,4-dimethoxyphenyl)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl] acetate
[(9R,10R)-8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate
[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate
C24H30O7_Benzoic acid, 4-hydroxy-, 1-(acetyloxy)-1,2,3,3a,4,7,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-7-oxo-4-azulenyl ester
C20H30O10_2-Phenylethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate
(1-acetyloxy-3-hydroxy-6,8a-dimethyl-7-oxo-3-propan-2-yl-2,3a,4,8-tetrahydro-1H-azulen-4-yl) 4-hydroxybenzoate
[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate [IIN-based: Match]
[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000848207]
[(9R,10R)-8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000847960]
[(9R,10R)-8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate [IIN-based: Match]
[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate_major
(1-acetyloxy-3-hydroxy-6,8a-dimethyl-7-oxo-3-propan-2-yl-2,3a,4,8-tetrahydro-1H-azulen-4-yl) 4-hydroxybenzoate_major
Ala Cys Thr His
Ala Asp Glu Pro
Ala Asp Pro Glu
Ala Glu Asp Pro
Ala Glu Pro Asp
Ala Phe Gly His
Ala Phe His Gly
Ala Gly Phe His
Ala Gly His Phe
Ala His Cys Thr
Ala His Phe Gly
Ala His Gly Phe
Ala His Thr Cys
Ala Pro Asp Glu
Ala Pro Glu Asp
Ala Thr Cys His
Ala Thr His Cys
Cys Ala His Thr
Cys Ala Thr His
Cys His Ala Thr
Asp Ala Glu Pro
Asp Ala Pro Glu
Asp Glu Ala Pro
Asp Glu Pro Ala
Asp Pro Ala Glu
Asp Pro Glu Ala
Glu Ala Asp Pro
Glu Ala Pro Asp
Glu Asp Ala Pro
Glu Asp Pro Ala
Glu Glu Gly Pro
Glu Glu Pro Gly
Glu Gly Glu Pro
Glu Gly Pro Glu
Glu Pro Ala Asp
Glu Pro Asp Ala
Glu Pro Glu Gly
Glu Pro Gly Glu
Phe Ala Gly His
Phe Ala His Gly
Phe Gly Ala His
Phe Gly His Ala
Phe His Ala Gly
Phe His Gly Ala
Gly Ala Phe His
Gly Ala His Phe
Gly Glu Glu Pro
Gly Glu Pro Glu
Gly Phe Ala His
Gly Phe His Ala
Gly His Ala Phe
Gly His Phe Ala
Gly Pro Glu Glu
His Ala Phe Gly
His Ala Gly Phe
His Phe Ala Gly
His Phe Gly Ala
His Gly Ala Phe
His Gly Phe Ala
His Ser Ser Thr
His Ser Thr Ser
His Thr Cys Ala
His Thr Ser Ser
Met Gly His Ser
Met Gly Ser His
Met His Gly Ser
Met His Ser Gly
Met Pro Pro Ser
Met Pro Ser Pro
Met Ser Gly His
Met Ser His Gly
Met Ser Pro Pro
Asn Asn Pro Ser
Asn Asn Ser Pro
Asn Pro Asn Ser
Asn Pro Ser Asn
Asn Ser Asn Pro
Asn Ser Pro Asn
Pro Ala Asp Glu
Pro Ala Glu Asp
Pro Asp Ala Glu
Pro Asp Glu Ala
Pro Glu Ala Asp
Pro Glu Asp Ala
Pro Glu Glu Gly
Pro Glu Gly Glu
Pro Gly Glu Glu
Pro Met Pro Ser
Pro Met Ser Pro
Pro Asn Asn Ser
Pro Asn Ser Asn
Pro Pro Met Ser
Pro Pro Ser Met
Pro Ser Met Pro
Pro Ser Asn Asn
Pro Ser Pro Met
Ser Gly His Met
Ser Gly Met His
Ser His Gly Met
Ser His Met Gly
Ser His Ser Thr
Ser His Thr Ser
Ser Met Gly His
Ser Met His Gly
Ser Met Pro Pro
Ser Asn Asn Pro
Ser Asn Pro Asn
Ser Pro Met Pro
Ser Pro Asn Asn
Ser Pro Pro Met
Ser Ser His Thr
Ser Ser Thr His
Ser Thr His Ser
Ser Thr Ser His
Thr His Ser Ser
Thr Ser His Ser
Thr Ser Ser His
Mammea E/BB
A natural product found in Mammea americana.
Mammea E/BA
Armillarilin
Cetyl glycol
Armillarigin
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)propyl acetate
1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-7-oxo-1,2,3,3a,4,7,8,8a-octahydro-4-azulenyl 4-hydroxybenzoate
ST 24:6;O7
4-(4-dimethylaminophenyl)-3-methyl-1-phenylindeno[2,1-e]pyrazolo[3,4-b]pyridine-5(1H)-one
nalpha-(tert-butoxycarbonyl)-l-arginine 4-nitroanilide hydrochloride
N,N-Bis(4-ethoxycarbonylphenyl)-N-benzylformamidine
4-Piperidinecarboxamide,4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-N,N-dimethyl-
butane-1,4-diol,dimethyl benzene-1,4-dicarboxylate,hexanedioic acid
Coumarin 545T
3-(S)-(+)-(1-Carbamoyl-1,1-diphenylmethyl)pyrroloidine-L-(+)-tartarate
2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
LY310762
LY310762 is a selective 5-HT1D receptor antagonist (Ki=249 nM) with a weak affinity for 5-HT1B receptor. LY310762 effectively abolishes the renal vasodilatory effects of 5-HTSumatriptan (HY-B0121B)-induced decrease in excitatory postsynaptic potential (EPSC) amplitude[1][2][3].
(2S,5R)-5-[(benzyloxy)amino]piperidine -2-carboxylic acid benzyl ester ethanedioate
2-ethoxy-1-{[2-(N-hydroxycarbamimidoyl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid
trimethyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]oxysilane
2-(chloromethyl)oxirane,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol,2-propan-2-yl-1H-imidazole
2-Amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
5,5,7,7-Tetramethyl-2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid methyl ester
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-ethoxyphenyl)-7-triazolo[4,5-d]pyrimidinone
[(9R,10R)-8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate
N-(2-Methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-YL]pyrimidin-2-YL}amino)benzenesulfonamide
1,2-Hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-(sec-butyl)-anthracene
(1S,2R)-2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)propyl acetate
Gelomulide M
An abietane diterpenoid that is ent-abieta-2(3),13(15)-diene-16,12-olide substituted by beta-acetoxy groups at positions 1 and 7 and a beta-epoxy group across positions 8 and 14. Isolated from the leaves of Gelonium aequoreum, it exhibits moderate cytotoxicity against lung (A549), breast (MDAMB-231 and MCF7), and liver (HepG2) cancer cell lines.
Asn-Asn-Pro-Ser
A tetrapeptide composed of two L-asparagine units, L-proline and L-serine joined in sequence by peptide linkages.
8-[4-(3-Chlorophenyl)-1-piperazinyl]-3-methyl-7-pentylpurine-2,6-dione
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-tert-butyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one
[(1S)-1-[5,7-dihydroxy-8-[(2S)-2-methylbutanoyl]-6-(3-methylbut-2-enyl)-2-oxochromen-4-yl]propyl] acetate
N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-N-(2-oxolanylmethyl)cyclohexanecarboxamide
N-[2-[(2R,5S,6R)-5-[[(3-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyridin-4-ylacetamide
N-[2-[(2R,5R,6R)-5-[[(3-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyridin-4-ylacetamide
N-[2-[(2S,5R,6R)-5-[[(3-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyridin-4-ylacetamide
3-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxanyl]benzamide
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
1-[(1S,2aS,8bS)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1S,2aR,8bR)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
(1S,9R,10R,11R)-12-ethyl-10-(hydroxymethyl)-6-oxo-N-phenyl-5-pyridin-4-yl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(6S,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-4-ethylsulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
[(2S,3R)-2-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(2-pyrazinyl)methanone
N-[2-[(2S,5R,6S)-5-[[(3-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyridin-4-ylacetamide
N-[2-[(2S,5S,6S)-5-[[(3-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyridin-4-ylacetamide
N-[2-[(2R,5R,6S)-5-[[(3-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyridin-4-ylacetamide
N-[2-[(2S,5S,6R)-5-[[(3-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyridin-4-ylacetamide
N-[2-[(2R,5S,6S)-5-[[(3-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyridin-4-ylacetamide
3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxanyl]benzamide
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
1-[(1R,2aR,8bR)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1R,2aS,8bS)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
(1R,9S,10S,11S)-12-ethyl-10-(hydroxymethyl)-6-oxo-N-phenyl-5-pyridin-4-yl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-4-ethylsulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-4-ethylsulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-4-ethylsulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-4-ethylsulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(1S,5R)-3-(2-methylphenyl)sulfonyl-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
N-[(Z)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
2-Chloro-4-[[7-methoxy-6-[3-[methyl(propyl)amino]propoxy]quinazolin-4-yl]amino]phenol
BisMePA(15:4)
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ALDH1A2-IN-1
ALDH1A2-IN-1 is an active site-directed reversible ALDH1A2 inhibitor (IC50=0.91 μM; Kd=0.26 μM) with several hydrophobic interactions[1].
(2r,2as,4ar,7ar,7br)-3-formyl-4a-hydroxy-2a-methoxy-6,6,7b-trimethyl-1h,2h,5h,7h,7ah-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate
4-hydroxy-5-[(4-hydroxy-10-methyl-2,7-dioxooxecan-5-yl)sulfanyl]-10-methyloxecane-2,7-dione
(1r,10s,13r,15r)-1-hydroxy-10-isopropyl-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-2,4,6-triene-9,12-dione
3,6,9-trimethyl-4-[(2-methylpropanoyl)oxy]-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-3-yl (2e)-2-methylbut-2-enoate
[(1r,2s,3as,3br,5ar,6r,7r,8s,9ar,9bs,11as)-1-ethenyl-2,6,7-trihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-8-yl]oxidanesulfonic acid
(12r,15s,16s,17r)-11,11,15-trimethyl-16-[(1r,2r)-1,2,3-trihydroxy-3-methylbutyl]-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one
5'-(4,8-dimethylnona-3,7-dien-1-yl)-4',8-dihydroxy-5'-methylspiro[1,4-benzodioxepine-3,2'-oxolane]-2,5-dione
(5r,6s,7r)-5-(3,4-dimethoxyphenyl)-4-methoxy-6,7-bis(methoxymethyl)-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxole
7'-hydroxy-2,9'a-dimethyl-1'-oxo-3-(6-oxopyran-3-yl)-octahydro-3'ah-spiro[cyclopentane-1,3'-naphtho[1,2-c]furan]-2-carboxylic acid
(5s,6r,7r)-5-(3,4-dimethoxyphenyl)-4-methoxy-6,7-bis(methoxymethyl)-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxole
7-(3,4-dimethoxyphenyl)-1,3-dimethoxy-6-methyl-8-oxo-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-en-2-yl acetate
2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
4,9-dimethyl-14-methylidene-8-[(2-methylprop-2-enoyl)oxy]-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl 2-methylbut-2-enoate
[5-(acetyloxy)-3,4-dihydroxy-6-[(5-hydroxy-7-methyl-3-methylidene-8-oxooct-6-en-1-yl)oxy]oxan-2-yl]methyl acetate
12-(acetyloxy)-5,11,15,15-tetramethyl-6-oxo-2,7-dioxapentacyclo[8.8.0.0¹,³.0⁴,⁸.0¹¹,¹⁶]octadeca-4,13-dien-18-yl acetate
(1s,2r,6s,7r,9r)-9-hydroxy-4,6-bis(4-hydroxyphenyl)-11-isopropyl-9-methyltricyclo[5.2.2.0²,⁶]undeca-4,10-diene-3,8-dione
[2-(acetyloxy)-7-ethenyl-4b,10-dihydroxy-1,7-dimethyl-9-oxo-2h,3h,3ah,4h,5h,6h-cyclopropa[f]phenanthren-1-yl]methyl acetate
(2s,3r,4e)-5-{2-[({2-[(1e,3r,4s)-3,4-dihydroxypent-1-en-1-yl]-6-hydroxyphenyl}methoxy)methyl]-3-hydroxyphenyl}pent-4-ene-2,3-diol
(1r,15r,18r)-4,5,6,9,10,11-hexamethoxy-18-methyl-17-oxatetracyclo[13.2.1.0²,⁷.0⁸,¹³]octadeca-2(7),3,5,8(13),9,11-hexaene
(2r,4ar,4bs,10as,10bs,12ar)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-2h,4ah,9h,10h,11h-phenanthro[1,2-c]pyran-1,4,5,8-tetrone
(1s,2r,3r,4s,5s,6r)-2,3-bis(acetyloxy)-4,5-dihydroxy-6-[(3-methylbutanoyl)oxy]cyclohexyl (2z)-2-methylbut-2-enoate
[(4as,4br,7r,8ar,10s,10ar)-10-(acetyloxy)-1,1-dimethyl-4,9-dioxo-7-(3-oxoprop-1-en-2-yl)-4b,5,6,7,8,8a,10,10a-octahydrophenanthren-4a-yl]methyl acetate
(2s,3r,4e)-5-[2-({2-[(1e,3r,4s)-3,4-dihydroxypent-1-en-1-yl]-4-hydroxy-3-(hydroxymethyl)phenyl}methyl)-3-hydroxyphenyl]pent-4-ene-2,3-diol
(1r,2r)-2-[4,5-dimethoxy-2-(prop-2-en-1-yl)phenoxy]-1-(3,4-dimethoxyphenyl)propyl acetate
2-{9-[(3-methylbutanoyl)oxy]-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl}propan-2-yl 3-methylbutanoate
3-{[(3ar,4r,11ar)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-methylidene-3-oxopropyl (2z)-2-(hydroxymethyl)but-2-enoate
andrographolide-3-o-sulfate
{"Ingredient_id": "HBIN016022","Ingredient_name": "andrographolide-3-o-sulfate","Alias": "NA","Ingredient_formula": "C20H30O8S","Ingredient_Smile": "CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)OS(=O)(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1160","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}