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


and

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




INPUT WORD = C00045525 , 50% or more
[ Metabolite Name : 1beta-Hydroxybufalin ]
Number of matched data : 58

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00042046 12alpha-Hydroxybufalin
(+)-12alpha-Hydroxybufalin		 98.39
C00042047 12beta-Hydroxybufalin 98.39
C00042171 7beta-Hydroxybufalin 98.39
C00045523 19-Oxobufalin 98.39
C00033375 Scilliglaucosidin 96.77
C00042323 Bufalin 96.77
C00033905 Hellebrigenin
3beta,5beta,14beta-Trihydroxy-19-oxo-bufa-20,22-dienolide 3-O-beta-D-glucopyranoside		 95.31
C00042170 7beta,12alpha-Dihydroxybufalin
(+)-7beta,12alpha-Dihydroxybufalin		 95.31
C00032601 14,19-Dihydroxy-3-oxo-bufa-4,20,22-trienolide
19-Hydroxyscillarenone		 95.16
C00032654 3-Oxo-scilliphaeosidin 95.16
C00033368 Scillarenin 95.16
C00033376 Scilliglaucosidone 95.16
C00045524 19-Oxodesacetylcinobufagin 93.85
C00045557 3beta-Formyloxyresibufogenin 93.85
C00032648 3-epi-Scilliphaeosidin 93.75
C00032651 3-Methoxy-scilliphaeosidin 93.75
C00030013 Coroglaucigenin 93.55
C00032213 Strophanthidin
Strophanthidin K
Strophanthidine		 93.55
C00032664 5-beta-14-Dihydroxy-bufa-3,20,22-trienolide 93.55
C00032214 Strophanthidol 91.94
C00032469 Uzarigenin 91.94
C00033374 Scilliglaucogenin 91.94
C00034103 Periforgenin A 91.94
C00042202 Afrogenin 90.32
C00049578 Proceragenin 90.32
C00032536 Xysmalogenin
5,6-Dehydrouzarigenin		 88.71
C00040609 Uzarigenin 3-O-sulfate
(+)-Uzarigenin 3-O-sulfate		 87.88
C00003623 Hellebrigenin 3-acetate 87.14
C00030117 Deoxycholic acid
3alpha,12alpha-Dihydroxy-5.beta.-cholanoic acid		 87.10
C00032464 Ursodeoxycholic acid 87.10
C00047615 Vladimuliecin B
(+)-Vladimuliecin B		 87.10
C00045578 6alpha-Hydroxycinobufagin 85.92
C00022218 Nepetefuran 85.48
C00022393 Dubiin 85.48
C00030498 Hyodeoxycholic acid
alpha-Hyodeoxycholic acid		 85.48
C00044422 12-O-Deacetyl-12-epi-scalarin
(-)-12-O-Deacetyl-12-epi-scalarin		 85.48
C00038847 Coroglaucigenin 3-O-sulfate
(+)-Coroglaucigenin 3-O-sulfate		 85.29
C00038848 Corotoxigenin 3-O-sulfate
(+)-Corotoxigenin 3-O-sulfate		 85.29
C00003606 Bryophyllin A 85.07
C00035629 Gordonoside A
(-)-Gordonoside A		 84.62
C00046659 Cedrelone 84.62
C00038675 Cabralealactone 84.38
C00033377 Scillirosidin 84.29
C00036260 6-Deoxo-28-nortyphasterol
28-Nortyphasterol		 84.13
C00041055 Metaplexigenin 84.13
C00050329 Alysine D
(-)-Alysine D		 84.13
C00046548 11beta-Hydroxycedrelone
(-)-11beta-Hydroxycedrelone		 84.06
C00003412 Cascarillin 83.87
C00003665 Pollinastanol 83.87
C00022270 ent-3beta-Acetoxy-15,16-epoxy-8(17),13(16),14-labdatrien-18-oic acid 83.87
C00022513 Methyl 16-acetoxy-17-hydroxyacritoconifert-7-en-oate 83.87
C00023346 Precalyone 83.87
C00032596 12-O-Acetyllineolon
(-)-12-O-Acetyllineolon		 83.87
C00036104 Cornutin J
(+)-Cornutin J		 83.87
C00043235 Acanthovagasteroid B
(-)-Acanthovagasteroid B		 83.87
C00048719 Griffinipregnone
(-)-Griffinipregnone		 83.87
C00049264 Phyllofolactone D
(+)-Phyllofolactone D		 83.87
C00049354 Anisodorin 2
(-)-Anisodorin 2		 83.87
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