Exact Mass: 486.200892
Exact Mass Matches: 486.200892
Found 500 metabolites which its exact mass value is equals to given mass value 486.200892
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Rutaevin
Rutaevin is a steroid lactone. Rutaevin is a natural product found in Fagaropsis angolensis, Tetradium glabrifolium, and other organisms with data available.
15-Acetoxyscirpene-3,4-diol 4-O-a-D-glucopyranoside
15-Acetoxyscirpene-3,4-diol 4-O-a-D-glucopyranoside is from Fusarium sulphureu From Fusarium sulphureum
Glucosylgalactosyl hydroxylysine
Glucosylgalactosyl hydroxylysine is a Glycoside of hydroxylysine. Hydroxylation of lysine is an important post-translational modification of collagen, (PMID 10928217) a reaction catalyzed by the enzyme Lysyl hydroxylase (EC 1.14.11.4) forming hydroxylysine in collagens and other proteins with collagen-like amino acid sequences, by the hydroxylation of lysine residues in X-lys-gly sequences. The hydroxylysine residues formed in the lysyl hydroxylase reaction have 2 important functions: first, their hydroxy groups serve as sites of attachment for carbohydrate units, either the monosaccharide galactose or the disaccharide glucosylgalactose; and second, they are essential for the stability of the intermolecular collagen crosslinks. (OMIM 153454). Hydroxylysine-deficient skin collagen is manifested in Ehlers-Danlos syndrome, type VIA, A heritable disorder of connective tissue (PMID 5016372). Glucosylgalactosyl hydroxylysine is a Glycoside of hydroxylysine. Hydroxylation of lysine is an important post-translational modification of collagen, (PMID 10928217) a reaction catalyzed by the enzyme Lysyl hydroxylase (EC 1.14.11.4) forming hydroxylysine in collagens and other proteins with collagen-like amino acid sequences, by the hydroxylation of lysine residues in X-lys-gly sequences.
2-O-alpha-D-Glucopyranosyl-O-beta-D-galactopyranosylhydroxylysine
Antibiotic LL-AB 664
C18H30N8O8 (486.21864999999997)
Apadenoson
2-[[5-[3-(Dimethylamino)propyl]-2-methylpyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione
N-(4-Cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
C26H26N6O4 (486.20154360000004)
MRS 1754 is a selective antagonist radioligand for A2B adenosine receptor with very low affinity for A1 and A3 receptors of both humans and rats[1].
Catharanthine tartrate
C21H24N2O2.C4H6O6 (486.200206)
4-[6-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-methyl-2-oxohexyl]dihydro-3-methylene-5-(2-oxopropyl)-2(3H)-furanone
Artelastochromene
2-{O3-carbamoyl-2-[(N-formimidoyl-glycyl)-methyl-amino]-beta-D-2-deoxy-gulopyranosylamino}-7-hydroxy-5-methyl-1(3),3a,5,6,7,7a-hexahydro-imidazo[4,5-c]pyridin-4-one
C18H30N8O8 (486.21864999999997)
6-O-(4-methoxybenzoyl)crescentin IV 3-O-beta-D-glucopyranoside
1-(4-beta-D-glucopyranosyloxybenzyl) 4-ethyl (2R)-2-isobutylmalate
Bufa-20,22-dienolide,1,3,5-[(1R)-ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxo-, (1b,3b,5b,11a)- (9CI)
(R)-Vittatolic acid|3,8-dihydroxy-1-(4-hydroxy-2-oxo-heptyl)-11-oxo-6-pentyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid|Vittatolinsaeure|Vittatolsaeure
Khadanin B
Kihadanin B is a natural product found in Phellodendron amurense and Trichilia elegans with data available.
Catharanthine tartrate
Ala Ala Tyr Tyr
Ala Cys Phe Phe
Ala Glu His Met
Ala Glu Met His
Ala Phe Cys Phe
Ala Phe Phe Cys
Ala Phe Ser Tyr
Ala Phe Tyr Ser
Ala His Glu Met
Ala His Met Glu
Ala His Pro Tyr
Ala His Tyr Pro
Ala Met Glu His
Ala Met His Glu
Ala Asn Pro Trp
Ala Asn Trp Pro
Ala Pro His Tyr
Ala Pro Asn Trp
Ala Pro Trp Asn
Ala Pro Tyr His
Ala Ser Phe Tyr
Ala Ser Tyr Phe
Ala Trp Asn Pro
Ala Trp Pro Asn
Ala Tyr Ala Tyr
Ala Tyr Phe Ser
Ala Tyr His Pro
Ala Tyr Pro His
Ala Tyr Ser Phe
Ala Tyr Tyr Ala
Cys Ala Phe Phe
Cys Asp His Ile
Cys Asp His Leu
Cys Asp Ile His
Cys Asp Leu His
Cys Glu His Val
Cys Glu Val His
Cys Phe Ala Phe
Cys Phe Phe Ala
Cys His Asp Ile
Cys His Asp Leu
Cys His Glu Val
Cys His Ile Asp
Cys His Leu Asp
Cys His Val Glu
Cys Ile Asp His
Cys Ile His Asp
Cys Leu Asp His
Cys Leu His Asp
Cys Val Glu His
Cys Val His Glu
Asp Cys His Ile
Asp Cys His Leu
Asp Cys Ile His
Asp Cys Leu His
Asp His Cys Ile
Asp His Cys Leu
Asp His Ile Cys
Asp His Leu Cys
Asp Ile Cys His
Asp Ile His Cys
Asp Leu Cys His
Asp Leu His Cys
Asp Pro Gln Gln
C19H30N6O9 (486.20741699999996)
Asp Gln Pro Gln
C19H30N6O9 (486.20741699999996)
Asp Gln Gln Pro
C19H30N6O9 (486.20741699999996)
Glu Ala His Met
Glu Ala Met His
Glu Cys His Val
Glu Cys Val His
Glu His Ala Met
Glu His Cys Val
Glu His Met Ala
Glu His Thr Thr
C19H30N6O9 (486.20741699999996)
Glu His Val Cys
Glu Met Ala His
Glu Met His Ala
Glu Asn Pro Gln
C19H30N6O9 (486.20741699999996)
Glu Asn Gln Pro
C19H30N6O9 (486.20741699999996)
Glu Pro Asn Gln
C19H30N6O9 (486.20741699999996)
Glu Pro Gln Asn
C19H30N6O9 (486.20741699999996)
Glu Gln Asn Pro
C19H30N6O9 (486.20741699999996)
Glu Gln Pro Asn
C19H30N6O9 (486.20741699999996)
Glu Thr His Thr
C19H30N6O9 (486.20741699999996)
Glu Thr Thr His
C19H30N6O9 (486.20741699999996)
Glu Val Cys His
Glu Val His Cys
Phe Ala Cys Phe
Phe Ala Phe Cys
Phe Ala Ser Tyr
Phe Ala Tyr Ser
Phe Cys Ala Phe
Phe Cys Phe Ala
Phe Phe Ala Cys
Phe Phe Cys Ala
Phe Phe Ser Ser
Phe Gly Thr Tyr
Phe Gly Tyr Thr
Phe His Pro Ser
Phe His Ser Pro
Phe Pro His Ser
Phe Pro Ser His
Phe Ser Ala Tyr
Phe Ser Phe Ser
Phe Ser His Pro
Phe Ser Pro His
Phe Ser Ser Phe
Phe Ser Tyr Ala
Phe Thr Gly Tyr
Phe Thr Tyr Gly
Phe Tyr Ala Ser
Phe Tyr Gly Thr
Phe Tyr Ser Ala
Phe Tyr Thr Gly
Gly Phe Thr Tyr
Gly Phe Tyr Thr
Gly His His His
C20H26N10O5 (486.2087546000001)
Gly Pro Gln Trp
Gly Pro Trp Gln
Gly Gln Pro Trp
Gly Thr Phe Tyr
Gly Thr Tyr Phe
Gly Tyr Phe Thr
Gly Tyr Thr Phe
His Ala Glu Met
His Ala Met Glu
His Cys Asp Ile
His Cys Asp Leu
His Cys Glu Val
His Cys Ile Asp
His Cys Leu Asp
His Cys Val Glu
His Asp Cys Ile
His Asp Cys Leu
His Asp Ile Cys
His Asp Leu Cys
His Glu Ala Met
His Glu Cys Val
His Glu Met Ala
His Glu Thr Thr
C19H30N6O9 (486.20741699999996)
His Glu Val Cys
His Gly His His
C20H26N10O5 (486.2087546000001)
His His Gly His
C20H26N10O5 (486.2087546000001)
His His His Gly
C20H26N10O5 (486.2087546000001)
His Ile Cys Asp
His Ile Asp Cys
His Leu Cys Asp
His Leu Asp Cys
His Met Ala Glu
His Met Glu Ala
His Thr Glu Thr
C19H30N6O9 (486.20741699999996)
His Thr Thr Glu
C19H30N6O9 (486.20741699999996)
His Val Cys Glu
His Val Glu Cys
His Tyr Pro Ala
Ile Cys Asp His
Ile Cys His Asp
Ile Asp Cys His
Ile Asp His Cys
Ile His Cys Asp
Ile His Asp Cys
Leu Cys Asp His
Leu Cys His Asp
Leu Asp Cys His
Leu Asp His Cys
Leu His Cys Asp
Leu His Asp Cys
Met Ala Glu His
Met Ala His Glu
Met Glu Ala His
Met Glu His Ala
Met His Ala Glu
Met His Glu Ala
Asn Glu Pro Gln
C19H30N6O9 (486.20741699999996)
Asn Glu Gln Pro
C19H30N6O9 (486.20741699999996)
Asn Pro Glu Gln
C19H30N6O9 (486.20741699999996)
Asn Pro Gln Glu
C19H30N6O9 (486.20741699999996)
Asn Gln Glu Pro
C19H30N6O9 (486.20741699999996)
Asn Gln Pro Glu
C19H30N6O9 (486.20741699999996)
Pro Ala Asn Trp
Pro Ala Trp Asn
Pro Ala Tyr His
Pro Asp Gln Gln
C19H30N6O9 (486.20741699999996)
Pro Glu Asn Gln
C19H30N6O9 (486.20741699999996)
Pro Glu Gln Asn
C19H30N6O9 (486.20741699999996)
Pro Phe His Ser
Pro Phe Ser His
Pro Gly Gln Trp
Pro Gly Trp Gln
Pro His Ala Tyr
Pro His Phe Ser
Pro His Ser Phe
Pro His Tyr Ala
Pro Asn Ala Trp
Pro Asn Glu Gln
C19H30N6O9 (486.20741699999996)
Pro Asn Gln Glu
C19H30N6O9 (486.20741699999996)
Pro Asn Trp Ala
Pro Gln Asp Gln
C19H30N6O9 (486.20741699999996)
Pro Gln Glu Asn
C19H30N6O9 (486.20741699999996)
Pro Gln Gly Trp
Pro Gln Asn Glu
C19H30N6O9 (486.20741699999996)
Pro Gln Gln Asp
C19H30N6O9 (486.20741699999996)
Pro Gln Trp Gly
Pro Ser Phe His
Pro Ser His Phe
Pro Trp Ala Asn
Pro Trp Gly Gln
Pro Trp Asn Ala
Pro Trp Gln Gly
Pro Tyr Ala His
Pro Tyr His Ala
Gln Asp Pro Gln
C19H30N6O9 (486.20741699999996)
Gln Asp Gln Pro
C19H30N6O9 (486.20741699999996)
Gln Glu Asn Pro
C19H30N6O9 (486.20741699999996)
Gln Glu Pro Asn
C19H30N6O9 (486.20741699999996)
Gln Gly Pro Trp
Gln Gly Trp Pro
Gln Asn Glu Pro
C19H30N6O9 (486.20741699999996)
Gln Asn Pro Glu
C19H30N6O9 (486.20741699999996)
Gln Pro Asp Gln
C19H30N6O9 (486.20741699999996)
Gln Pro Glu Asn
C19H30N6O9 (486.20741699999996)
Gln Pro Gly Trp
Gln Pro Asn Glu
C19H30N6O9 (486.20741699999996)
Gln Pro Gln Asp
C19H30N6O9 (486.20741699999996)
Gln Pro Trp Gly
Gln Gln Asp Pro
C19H30N6O9 (486.20741699999996)
Gln Gln Pro Asp
C19H30N6O9 (486.20741699999996)
Gln Trp Gly Pro
Gln Trp Pro Gly
Ser Ala Phe Tyr
Ser Ala Tyr Phe
Ser Phe Ala Tyr
Ser Phe Phe Ser
Ser Phe His Pro
Ser Phe Pro His
Ser Phe Ser Phe
Ser Phe Tyr Ala
Ser His Phe Pro
Ser His Pro Phe
Ser Pro Phe His
Ser Pro His Phe
Ser Ser Phe Phe
Ser Tyr Ala Phe
Ser Tyr Phe Ala
Thr Glu His Thr
C19H30N6O9 (486.20741699999996)
Thr Glu Thr His
C19H30N6O9 (486.20741699999996)
Thr Phe Gly Tyr
Thr Phe Tyr Gly
Thr Gly Phe Tyr
Thr Gly Tyr Phe
Thr His Glu Thr
C19H30N6O9 (486.20741699999996)
Thr His Thr Glu
C19H30N6O9 (486.20741699999996)
Thr Thr Glu His
C19H30N6O9 (486.20741699999996)
Thr Thr His Glu
C19H30N6O9 (486.20741699999996)
Thr Tyr Phe Gly
Thr Tyr Gly Phe
Val Cys Glu His
Val Cys His Glu
Val Glu Cys His
Val Glu His Cys
Val His Cys Glu
Val His Glu Cys
Trp Ala Asn Pro
Trp Ala Pro Asn
Trp Gly Pro Gln
Trp Gly Gln Pro
Trp Asn Ala Pro
Trp Asn Pro Ala
Trp Pro Ala Asn
Trp Pro Gly Gln
Trp Pro Asn Ala
Trp Pro Gln Gly
Trp Gln Gly Pro
Trp Gln Pro Gly
Tyr Ala Ala Tyr
Tyr Ala Phe Ser
Tyr Ala His Pro
Tyr Ala Pro His
Tyr Ala Ser Phe
Tyr Ala Tyr Ala
Tyr Phe Ala Ser
Tyr Phe Gly Thr
Tyr Phe Ser Ala
Tyr Phe Thr Gly
Tyr Gly Phe Thr
Tyr Gly Thr Phe
Tyr His Ala Pro
Tyr His Pro Ala
Tyr Pro Ala His
Tyr Pro His Ala
Tyr Ser Ala Phe
Tyr Ser Phe Ala
Tyr Thr Phe Gly
Tyr Thr Gly Phe
Tyr Tyr Ala Ala
15-Acetoxyscirpene-3,4-diol 4-O-a-D-glucopyranoside
[(2R,3R,4S,5R,6R)-4,6-diacetyloxy-3,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
N^a-Boc-N^w-(4-Methoxy-2,3,6-triMethylphenylsulfonyl)-D-arginine
C21H34N4O7S (486.21480940000004)
3,5-O-(1,1,3,3-TETRAISOPROPYL-1,3-DISILOXANEDIYL)URIDINE
CHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]COPPER(I)
Olmutinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
N-(4-(phenyl-9H-carbazol-3-yl)phenyl)biphenyl-4-aMine
MLN0905
2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
N-(2-Aminoethyl)-N~2~-{(1s)-1-[4-(Aminosulfonyl)biphenyl-4-Yl]-2,2,2-Trifluoroethyl}-L-Leucinamide
[5-[[2-(aminomethylideneamino)acetyl]-methylamino]-4-hydroxy-2-(hydroxymethyl)-6-[(7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)amino]oxan-3-yl] carbamate
C18H30N8O8 (486.21864999999997)
(E)-1-[2-hydroxy-3-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
3-deamino-3-hydroxykanamycin X
A kanamycin that is kanamycin X in which the 3-amino group has been replaced by a hydroxy group.
[(1S,2R,9R,10R,11S)-10-Hydroxy-1,5-dimethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-2-yl]methyl acetate
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]-1-phenylmethanesulfonamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]-1-phenylmethanesulfonamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
N-[(1R,3S,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
2-[(1S,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
2-[(1R,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
2-[(1R,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
(1R,9S,10S,11S)-12-N-(2,5-difluorophenyl)-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-11-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide
(1S,9R,10R,11R)-12-N-(2,5-difluorophenyl)-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-11-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide
4-Ethoxycarbonyl-3-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoic acid
MRS 1754
C26H26N6O4 (486.20154360000004)
MRS 1754 is a selective antagonist radioligand for A2B adenosine receptor with very low affinity for A1 and A3 receptors of both humans and rats[1].
3-(3-methyl-2-butenyl)-4-O-beta-D-glucopyranosyl-4,2-dihydroxychalcone
A member of the class of chalcones that consists of trans-chalcone substituted by hydroxy groups at positions 4 and 2, a prenyl group at position 3 and a beta-D-glucopyranosyloxy group at position 4. Isolated from the stem barks of Maclura tinctoria, it exhibits antioxidant activity.
5-[(alpha-D-glucopyranosyl-(1->2)-beta-D-galactopyranosyl)oxy]-L-lysine
An O-glycosyl amino acid that is L-lysine in which one of the methylene hydrogens at position 5 has been replaced by an (alpha-D-glucopyranosyl-(1->2)-beta-D-galactopyranosyl)oxy group.
Catharanthine (Tartrate)
Catharanthine Tartrate is an alkaloid isolated from Catharanthus roseus, inhibits voltage-operated L-type Ca2+ channel, with anti-cancer and blood pressure-lowering activity[1]. Catharanthine Tartrate is an alkaloid isolated from Catharanthus roseus, inhibits voltage-operated L-type Ca2+ channel, with anti-cancer and blood pressure-lowering activity[1].
TAN-452
TAN-452 is an orally active, selective peripherally acting δ-opioid receptor (DOR) antagonist with a Ki of 0.47?nM and a Kb of 0.21?nM. TAN-452 is an antagonist for μ-opioid receptor (MOR; Ki=36.56?nM and Kb=9.43?nM) and κ-opioid receptor (KOR; Ki=5.31?nM and Kb=7.18?nM). TAN-452, a derivative of Naltrindole, demonstrates low brain penetrability and attenuates morphine-induced side effects without affecting pain control[1].
2-({15-[(1-carboxy-2-methylpropyl)-c-hydroxycarbonimidoyl]-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene}amino)butanedioic acid
3-(4-chloro-3,5-dihydroxyphenyl)-2-({2-[(3,7-diamino-1-hydroxyheptylidene)amino]-1,3-dihydroxy-3-methylbutylidene}amino)prop-2-enoic acid
(1r,2r,3r,4s)-4-hydroxy-3-(hydroxymethyl)-4-methyl-2-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclopentyl 4-methoxybenzoate
4-hydroxy-3-(hydroxymethyl)-4-methyl-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclopentyl 4-methoxybenzoate
(2z)-3-(4-chloro-3,5-dihydroxyphenyl)-2-{[(2s)-2-{[(3s)-3,7-diamino-1-hydroxyheptylidene]amino}-1,3-dihydroxy-3-methylbutylidene]amino}prop-2-enoic acid
(1s,2r,6r,7r,10r,11s,16s,19r,20r)-6-(furan-3-yl)-19,20-dihydroxy-7,17,17-trimethyl-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosane-4,14,18-trione
(1r,2r,4s,7r,8s,11r,12r,18r)-7-(2-hydroxy-5-oxo-2h-furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione
2,18-dimethyl (1s,9s,18s)-18-hydroxy-4,5-dimethoxy-21-oxo-2,12-diazapentacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸]henicosa-3(8),4,6,16(20)-tetraene-2,18-dicarboxylate
(1s,11s,12s)-4,5-bis(acetyloxy)-6-isopropyl-12-methyl-9,17-dioxo-16-oxatetracyclo[10.3.2.0¹,¹¹.0³,⁸]heptadeca-3,5,7-trien-7-yl acetate
2,18-dimethyl (1s,9r,16r,17r,18r,21r)-17,18-dihydroxy-4,5-dimethoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3(8),4,6,14-tetraene-2,18-dicarboxylate
(1r,2r,7s,10r,12r,13s,14r,16s,19r,20s)-19-(furan-2-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,11,17-trione
(2s)-2-(2-carbamimidamido-n-hydroxyacetamido)-n-{[(2r,3s,4r,5s)-5-(2,4-dihydroxypyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl}pentanediimidic acid
C17H26N8O9 (486.18226660000005)
(1s,4r,5s,8r,9r,11s,12s,13r,14r,16r,18s)-5,11-dihydroxy-9,16-dimethyl-10-oxo-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.1¹⁴,¹⁸.0¹,¹³.0⁴,¹².0⁵,⁹]henicosane-13-carbaldehyde
(5r,5as,6s,9ar)-6,9a-bis[(acetyloxy)methyl]-6-methyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-hydroxybenzoate
[(2s,3r)-2-[4-(acetyloxy)-3-methoxyphenyl]-5-[3-(acetyloxy)propyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl acetate
[(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(4r)-4-methyl-6-[(2r,3r)-4-methylidene-5-oxo-2-(2-oxopropyl)oxolan-3-yl]-5-oxohexyl]oxy}oxan-2-yl]methyl acetate
12α-hydroxylimonin
{"Ingredient_id": "HBIN000709","Ingredient_name": "12\u03b1-hydroxylimonin","Alias": "12alpha-hydroxylimonin","Ingredient_formula": "C26H30O9","Ingredient_Smile": "CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CC(C5(C36C(O6)C(=O)OC5C7=COC=C7)C)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15870","TCMID_id": "10324","TCMSP_id": "NA","TCM_ID_id": "19313","PubChem_id": "NA","DrugBank_id": "NA"}
12alpha-hydroxylimonine
{"Ingredient_id": "HBIN000710","Ingredient_name": "12alpha-hydroxylimonine","Alias": "NA","Ingredient_formula": "C26H30O9","Ingredient_Smile": "CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CC(C5(C36C(O6)C(=O)OC5C7=COC=C7)C)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31209","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
{2-[4-(acetyloxy)-3-methoxyphenyl]-5-[3-(acetyloxy)propyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl}methyl acetate
19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,11,17-trione
6,14,15-trihydroxy-10-oxo-12-(2-oxoheptyl)-4-pentyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylic acid
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol
methyl 12-hydroxy-7,7,13,18,21-pentamethyl-2-methylidene-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.0³,⁸.0¹⁰,²¹.0¹²,²⁰.0¹⁵,¹⁹]docosa-3,8-diene-20-carboxylate
[3,4,5-trihydroxy-6-({4-methyl-6-[4-methylidene-5-oxo-2-(2-oxopropyl)oxolan-3-yl]-5-oxohexyl}oxy)oxan-2-yl]methyl acetate
7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione
(1s,2r,6r,7r,10r,11s,16s,20r)-6-(furan-3-yl)-19,20-dihydroxy-7,17,17-trimethyl-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosane-4,14,18-trione
(2s)-n-[5-(2,4-dihydroxypyrimidin-5-yl)-2,3,5-trihydroxy-4-(2-imino-5-oxoimidazolidin-1-yl)pentyl]-2-(n-hydroxyamino)pentanediimidic acid
C17H26N8O9 (486.18226660000005)
6,9a-bis[(acetyloxy)methyl]-6-methyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-hydroxybenzoate
{2,6,6,14,19-pentamethyl-3,8,15,20-tetraoxo-7,16,18-trioxapentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosa-4,10-dien-11-yl}methyl acetate
(1r,2r,4s,7r,8s,11r,12r,18r)-7-[(5r)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione
(1's,2's,3as,6's,6ar,9r,9'r,9ar,9bs)-3,5',6,15'-tetramethylidene-4,5,6a,7,9a,9b-hexahydro-3ah-3'-oxaspiro[azuleno[4,5-b]furan-9,12'-tetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadecan]-13'(16')-ene-2,4',8,14'-tetrone
3-({4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]phenyl}methyl)-1-hydroxy-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
7-(2-hydroxy-5-oxo-2h-furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione
(9s,9ar,11'r,15'r)-15'-hydroxy-2,2,16',16'-tetramethyl-1,9a-dihydro-14'-oxa-2',10'-diazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadecane]-1',3',5',7'-tetraene-3,9',17'-trione
C27H26N4O5 (486.19031060000003)
methyl (1's,2r,2's,12'r,14'r,17'r,19's,21'r)-2',6',6',14',19'-pentamethyl-8',15',20'-trioxo-7',16',18'-trioxaspiro[oxirane-2,11'-pentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosane]-4',9'-diene-1'-carboxylate
methyl 5-(hexa-1,3-dien-1-yl)-5-methyl-4-oxo-2-(1,7,8-trihydroxy-6-methoxy-1,3-dimethyl-4-oxo-2,3-dihydronaphthalen-2-yl)furan-3-carboxylate
6-(furan-3-yl)-19,20-dihydroxy-7,17,17-trimethyl-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosane-4,14,18-trione
5-[1-(3,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethyl]-3-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diol
(1r,2r,4s,7r,8s,11s,12r,18s)-7-[(5r)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione
[(2s,3r,4r)-2-[4-(acetyloxy)-3-methoxyphenyl]-4-{[4-(acetyloxy)-3-methoxyphenyl]methyl}oxolan-3-yl]methyl acetate
2-({2-[(acetyloxy)methyl]prop-2-enoyl}oxy)-3,8-dimethyl-12-methylidene-4,11-dioxo-10-oxatricyclo[7.3.1.0³,⁷]tridec-5-en-13-yl 2-methylbut-2-enoate
15'-hydroxy-2,2,16',16'-tetramethyl-1,9a-dihydro-14'-oxa-2',10'-diazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadecane]-1',3',5',7'-tetraene-3,9',17'-trione
C27H26N4O5 (486.19031060000003)
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(4s)-4-methyl-6-[(2r,3r)-4-methylidene-5-oxo-2-(2-oxopropyl)oxolan-3-yl]-5-oxohexyl]oxy}oxan-2-yl]methyl acetate
1-[(2s,5s)-4-benzoyl-2-benzyl-5-[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethanone
methyl (5r)-5-[(1e,3e)-hexa-1,3-dien-1-yl]-5-methyl-4-oxo-2-[(1s,2s,3r)-1,7,8-trihydroxy-6-methoxy-1,3-dimethyl-4-oxo-2,3-dihydronaphthalen-2-yl]furan-3-carboxylate
5-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)pyrano[3,2-g]chromen-4-one
4,5-bis(acetyloxy)-6-isopropyl-12-methyl-9,17-dioxo-16-oxatetracyclo[10.3.2.0¹,¹¹.0³,⁸]heptadeca-3,5,7-trien-7-yl acetate
methyl (1r,10s,12r,13r,15s,18s,19s,20r,21r)-12-hydroxy-7,7,13,18,21-pentamethyl-2-methylidene-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.0³,⁸.0¹⁰,²¹.0¹²,²⁰.0¹⁵,¹⁹]docosa-3,8-diene-20-carboxylate
(3s,8ar)-3-({4-[(1s,2r)-2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]phenyl}methyl)-1-hydroxy-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
(2s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-2-methylpropyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}butanedioic acid
[(1r,2s,12s,14r,17r,19r,21s)-2,6,6,14,19-pentamethyl-3,8,15,20-tetraoxo-7,16,18-trioxapentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosa-4,10-dien-11-yl]methyl acetate
(2e)-1-[2-hydroxy-3-(3-methylbut-2-en-1-yl)-4-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
{2-[4-(acetyloxy)-3-methoxyphenyl]-4-{[4-(acetyloxy)-3-methoxyphenyl]methyl}oxolan-3-yl}methyl acetate
(4r,5s,7r,7ar)-3,7a-dibenzyl-5-hydroxy-4,7-diphenyl-4,5,6,7-tetrahydro-1-benzofuran-2-one
5,6'-bis[2-(3-methoxyphenyl)ethyl]-[1,1'-biphenyl]-2,3,3',4'-tetrol
methyl 2-{[3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxyphenyl]methyl}-4-ethoxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
[(2r,3s,4s,5r,6r)-6-{[(4s)-5-[(3ar,4r,5r,6ar)-5-hydroxy-5-methyl-3-methylidene-2-oxo-tetrahydrocyclopenta[b]furan-4-yl]-4-methyl-5-oxopentyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
2,18-dimethyl 17,18-dihydroxy-4,5-dimethoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3(8),4,6,14-tetraene-2,18-dicarboxylate
(1r,2r,4s,7r,8s,11r,12r,18r)-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione
13,15-dimethyl (1s,2r,6r,14s,15r,16r,18s,20s)-15-hydroxy-11,20-dimethoxy-17-oxa-3,13-diazaheptacyclo[12.6.2.0¹,¹⁶.0²,⁶.0³,¹⁸.0⁶,¹⁴.0⁷,¹²]docosa-7,9,11-triene-13,15-dicarboxylate
n-[5-(2,4-dihydroxypyrimidin-5-yl)-2,3,5-trihydroxy-4-(2-imino-5-oxoimidazolidin-1-yl)pentyl]-2-(n-hydroxyamino)pentanediimidic acid
C17H26N8O9 (486.18226660000005)
(1s,2s,3r,7s,8s,9r,13s)-2-({2-[(acetyloxy)methyl]prop-2-enoyl}oxy)-3,8-dimethyl-12-methylidene-4,11-dioxo-10-oxatricyclo[7.3.1.0³,⁷]tridec-5-en-13-yl (2z)-2-methylbut-2-enoate
13,15-dimethyl (1s,2r,6r,14s,15r,18s,20s)-15-hydroxy-11,20-dimethoxy-17-oxa-3,13-diazaheptacyclo[12.6.2.0¹,¹⁶.0²,⁶.0³,¹⁸.0⁶,¹⁴.0⁷,¹²]docosa-7,9,11-triene-13,15-dicarboxylate
6,6'-bis[2-(3-methoxyphenyl)ethyl]-[1,1'-biphenyl]-3,3',4,4'-tetrol
5-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)pyrano[2,3-f]chromen-4-one
(1r,2r,7s,10s,12r,13s,14r,16s,19s,20s)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,11,17-trione
methyl (2r)-2-({3-[(2s)-2,3-dihydroxy-3-methylbutyl]-4-hydroxyphenyl}methyl)-4-ethoxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
{3,4,5-trihydroxy-6-[(5-{5-hydroxy-5-methyl-3-methylidene-2-oxo-tetrahydrocyclopenta[b]furan-4-yl}-4-methyl-5-oxopentyl)oxy]oxan-2-yl}methyl acetate
(12r,13s,14r,16r)-19-(furan-3-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,11,17-trione
19-(furan-2-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,11,17-trione
methyl (1r,3s,5s,7s,10s,11r,19r)-13-hydroxy-5,7,11,15,15,19-hexamethyl-4-methylidene-6,9,12,16-tetraoxo-2,8-dioxapentacyclo[9.8.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁹]nonadec-13-ene-7-carboxylate
3,5',6,15'-tetramethylidene-4,5,6a,7,9a,9b-hexahydro-3ah-3'-oxaspiro[azuleno[4,5-b]furan-9,12'-tetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadecan]-13'(16')-ene-2,4',8,14'-tetrone
2-({4,5-dihydroxy-6-[(6-hydroxy-4-methoxy-2-methyloxan-3-yl)oxy]-2-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
5,11-dihydroxy-9,16-dimethyl-10-oxo-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.1¹⁴,¹⁸.0¹,¹³.0⁴,¹².0⁵,⁹]henicosane-13-carbaldehyde
2,18-dimethyl 18-hydroxy-4,5-dimethoxy-21-oxo-2,12-diazapentacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸]henicosa-3(8),4,6,16(20)-tetraene-2,18-dicarboxylate
4-({2-[(acetyloxy)methyl]prop-2-enoyl}oxy)-4a,8-dimethyl-3-methylidene-2,5-dioxo-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-9-yl 2-methylbut-2-enoate
(3as,4s,4ar,7as,8s,9r,9as)-4-({2-[(acetyloxy)methyl]prop-2-enoyl}oxy)-4a,8-dimethyl-3-methylidene-2,5-dioxo-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-9-yl (2z)-2-methylbut-2-enoate
(11s)-7,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-en-1-yl)-11-(2-methylprop-1-en-1-yl)-2,10,20-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3(12),4,6,8,14,16(21),17-octaen-13-one
methyl 2',6',6',14',19'-pentamethyl-8',15',20'-trioxo-7',16',18'-trioxaspiro[oxirane-2,11'-pentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosane]-4',9'-diene-1'-carboxylate
(9s,9ar,11's,15's)-15'-hydroxy-2,2,16',16'-tetramethyl-1,9a-dihydro-14'-oxa-2',10'-diazaspiro[imidazo[1,2-a]indole-9,13'-tetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadecane]-1',3',5',7'-tetraene-3,9',17'-trione
C27H26N4O5 (486.19031060000003)