"Twins" retrives similar metabolites in chemical structure.
last update : 2020.01.06
KNApSAcK CID : ex.) C00000001


and

Similarity (%) : ex.) 98
% or more




INPUT WORD = C00042170 , 50% or more
[ Metabolite Name : 7beta,12alpha-Dihydroxybufalin , (+)-7beta,12alpha-Dihydroxybufalin ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00033905 Hellebrigenin
3beta,5beta,14beta-Trihydroxy-19-oxo-bufa-20,22-dienolide 3-O-beta-D-glucopyranoside		 96.88
C00042046 12alpha-Hydroxybufalin
(+)-12alpha-Hydroxybufalin		 96.88
C00042047 12beta-Hydroxybufalin 96.88
C00042171 7beta-Hydroxybufalin 96.88
C00045524 19-Oxodesacetylcinobufagin 95.38
C00045523 19-Oxobufalin 95.31
C00045525 1beta-Hydroxybufalin 95.31
C00045557 3beta-Formyloxyresibufogenin 93.85
C00032648 3-epi-Scilliphaeosidin 93.75
C00032651 3-Methoxy-scilliphaeosidin 93.75
C00032654 3-Oxo-scilliphaeosidin 93.75
C00033375 Scilliglaucosidin 93.75
C00042323 Bufalin 93.75
C00032213 Strophanthidin
Strophanthidin K
Strophanthidine		 92.19
C00032601 14,19-Dihydroxy-3-oxo-bufa-4,20,22-trienolide
19-Hydroxyscillarenone		 92.19
C00033368 Scillarenin 92.19
C00033376 Scilliglaucosidone 92.19
C00030013 Coroglaucigenin 90.63
C00032214 Strophanthidol 90.63
C00032664 5-beta-14-Dihydroxy-bufa-3,20,22-trienolide 90.63
C00040609 Uzarigenin 3-O-sulfate
(+)-Uzarigenin 3-O-sulfate		 89.39
C00032469 Uzarigenin 89.06
C00033374 Scilliglaucogenin 89.06
C00034103 Periforgenin A 89.06
C00042202 Afrogenin 89.06
C00049578 Proceragenin 89.06
C00003623 Hellebrigenin 3-acetate 88.57
C00035629 Gordonoside A
(-)-Gordonoside A		 87.69
C00046548 11beta-Hydroxycedrelone
(-)-11beta-Hydroxycedrelone		 86.96
C00038847 Coroglaucigenin 3-O-sulfate
(+)-Coroglaucigenin 3-O-sulfate		 86.76
C00038848 Corotoxigenin 3-O-sulfate
(+)-Corotoxigenin 3-O-sulfate		 86.76
C00046659 Cedrelone 86.15
C00030117 Deoxycholic acid
3alpha,12alpha-Dihydroxy-5.beta.-cholanoic acid		 85.94
C00032464 Ursodeoxycholic acid 85.94
C00032536 Xysmalogenin
5,6-Dehydrouzarigenin		 85.94
C00045578 6alpha-Hydroxycinobufagin 85.92
C00039089 Ekeberin C1
(-)-Ekeberin C1		 85.51
C00046549 11beta-Hydroxydihydrocedrelone 85.51
C00003606 Bryophyllin A 85.07
C00046961 Walsurin
(-)-Walsurin		 84.85
C00047614 Vladimuliecin A
(+)-Vladimuliecin A		 84.85
C00036404 12beta-Hydroxyscillirosidin 84.72
C00031813 Glabcensin V
(+)-Gesneroidin F		 84.62
C00043369 Certonardosterol B3 84.62
C00045205 Adenanthin E
(+)-Adenanthin E		 84.62
C00045206 Adenanthin F
(-)-Adenanthin F		 84.62
C00019922 (-)-2'beta-(2zeta-Hydroxy-3-methyl-1-oxobutyl)-2'-deoxybruceol 84.38
C00033481 Vibsanin I
(+)-Vibsanin I		 84.38
C00036551 3-Hydroxyvibsanin E 84.38
C00038537 Aurovertin F
(-)-Aurovertin F		 84.38
C00041055 Metaplexigenin 84.38
C00049887 Petrosaspongiolide P 84.38
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