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


and

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




INPUT WORD = C00045523 , 50% or more
[ Metabolite Name : 19-Oxobufalin ]
Number of matched data : 65

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00033375 Scilliglaucosidin 98.39
C00042046 12alpha-Hydroxybufalin
(+)-12alpha-Hydroxybufalin		 98.39
C00042047 12beta-Hydroxybufalin 98.39
C00042171 7beta-Hydroxybufalin 98.39
C00045525 1beta-Hydroxybufalin 98.39
C00033905 Hellebrigenin
3beta,5beta,14beta-Trihydroxy-19-oxo-bufa-20,22-dienolide 3-O-beta-D-glucopyranoside		 96.88
C00032601 14,19-Dihydroxy-3-oxo-bufa-4,20,22-trienolide
19-Hydroxyscillarenone		 96.77
C00033376 Scilliglaucosidone 96.77
C00042323 Bufalin 96.77
C00045524 19-Oxodesacetylcinobufagin 95.38
C00042170 7beta,12alpha-Dihydroxybufalin
(+)-7beta,12alpha-Dihydroxybufalin		 95.31
C00030013 Coroglaucigenin 95.16
C00032213 Strophanthidin
Strophanthidin K
Strophanthidine		 95.16
C00032654 3-Oxo-scilliphaeosidin 95.16
C00033368 Scillarenin 95.16
C00045557 3beta-Formyloxyresibufogenin 93.85
C00032648 3-epi-Scilliphaeosidin 93.75
C00032651 3-Methoxy-scilliphaeosidin 93.75
C00032214 Strophanthidol 93.55
C00032664 5-beta-14-Dihydroxy-bufa-3,20,22-trienolide 93.55
C00033374 Scilliglaucogenin 93.55
C00032469 Uzarigenin 91.94
C00034103 Periforgenin A 91.94
C00042202 Afrogenin 90.32
C00049578 Proceragenin 90.32
C00032536 Xysmalogenin
5,6-Dehydrouzarigenin		 88.71
C00003623 Hellebrigenin 3-acetate 88.57
C00040609 Uzarigenin 3-O-sulfate
(+)-Uzarigenin 3-O-sulfate		 87.88
C00019921 (-)-2'beta-{(E)-3-Hydroxy-3-methylbut-1-enyl}-2'-deoxybruceol 87.10
C00030117 Deoxycholic acid
3alpha,12alpha-Dihydroxy-5.beta.-cholanoic acid		 87.10
C00032464 Ursodeoxycholic acid 87.10
C00038847 Coroglaucigenin 3-O-sulfate
(+)-Coroglaucigenin 3-O-sulfate		 86.76
C00038848 Corotoxigenin 3-O-sulfate
(+)-Corotoxigenin 3-O-sulfate		 86.76
C00003606 Bryophyllin A 86.57
C00045578 6alpha-Hydroxycinobufagin 85.92
C00033377 Scillirosidin 85.71
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
C00047615 Vladimuliecin B
(+)-Vladimuliecin B		 85.48
C00048461 Kuguacin L
(-)-Kuguacin L		 85.48
C00035629 Gordonoside A
(-)-Gordonoside A		 84.62
C00046659 Cedrelone 84.62
C00019894 (-)-2beta-{(E)-3-Hydroperoxy-3-methylbut-1-enyl}-2'-deoxybruceol 84.38
C00038675 Cabralealactone 84.38
C00036260 6-Deoxo-28-nortyphasterol
28-Nortyphasterol		 84.13
C00041055 Metaplexigenin 84.13
C00049889 Petrosaspongiolide R 84.13
C00046548 11beta-Hydroxycedrelone
(-)-11beta-Hydroxycedrelone		 84.06
C00003665 Pollinastanol 83.87
C00022270 ent-3beta-Acetoxy-15,16-epoxy-8(17),13(16),14-labdatrien-18-oic acid 83.87
C00023346 Precalyone 83.87
C00023523 Teupyrin B 83.87
C00023530 Teucrin H3
19-Acetylgnaphalin (diterpene)		 83.87
C00023531 12-Epiteupolin II 83.87
C00023532 Teupolin II 83.87
C00023533 Teucjaponin B
Teupolin I		 83.87
C00024034 Scoparic Acid B 83.87
C00031949 Juruenolide F
(+)-Juruenolide F		 83.87
C00032596 12-O-Acetyllineolon
(-)-12-O-Acetyllineolon		 83.87
C00035202 11-Hydroxyfruticolone
(+)-11-Hydroxyfruticolone		 83.87
C00041886 Stereonsteroid B
(+)-Stereonsteroid B		 83.87
C00043235 Acanthovagasteroid B
(-)-Acanthovagasteroid B		 83.87
C00046556 12-epi-Teucjaponin A 83.87
C00049264 Phyllofolactone D
(+)-Phyllofolactone D		 83.87
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