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


and

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




INPUT WORD = C00013150 , 50% or more
[ Metabolite Name : Triptofordinine A 2 , [3R-[3alpha,4alpha,5alpha,5aalpha,6alpha(Z),9beta,9aalpha,10R*]]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[(1-oxo-3-phenyl-2-propenyl)oxy]-2H-3,9a-methano-1-benzoxepin-4-yl ester 3-pyridinecarboxylic acid ]
Number of matched data : 58

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00013149 Triptofordinine A 1
[3R-[3alpha,4alpha,5alpha,5aalpha,6alpha(E),9beta,9aalpha,10R*]]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[(1-oxo-3-phenyl-2-propenyl)oxy]-2H-3,9a-methano-1-benzoxepin-4-yl ester 3-pyridinecarboxylic acid		 96.46
C00045039 Reissantin B 92.04
C00013141 Alatolin
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 5,10-diacetate 4,6,7-tribenzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol		 90.43
C00013148 Triptofordin D 2
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-4,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyl-2-propenoic acid		 90.27
C00013132 8alpha-Benzoyloxyacetylpringleine
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9beta,9aalpha,10R*)]- 5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,7,9,10-hexol 6,10-diacetate 4,5,7-tribenzoate		 89.74
C00038331 8-Benzoyloxymutangin 88.70
C00041160 Taxchinin J 86.96
C00049494 N-Demethylnicaustrine
(+)-N-Demethylnicaustrine		 86.96
C00038166 15-Acetoxyorbiculin G 86.73
C00049495 Nicaustrine
(+)-Nicaustrine		 86.32
C00035955 6alpha-Acetoxy-9beta-benzoyloxy-1beta-cinnamoyloxy-8beta-(2-methylbutanoyloxy)-beta-dihydroagarofuran 85.84
C00038185 1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran
(+)-1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran		 85.84
C00041197 Taxuspine P
(+)-Taxuspine P		 85.84
C00013138 Euolalin
[3R-[3alpha,5beta(S*),5aalpha,6alpha,7alpha,9beta,9aalpha,10R*]]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-6,7-bis(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 2-methylbutanoic acid		 84.96
C00039218 Fokienagarofuran A 84.96
C00016326 F 10863B 84.35
C00016328 F 10863D 84.35
C00001967 Catheduline E2 84.07
C00013156 Triptofordin D 1
[3R-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4-oxo-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyl-2-propenoic acid		 84.07
C00033416 Taxuspine X 84.07
C00041156 Taxchinin E 84.07
C00041186 Taxuspine A 84.07
C00049427 Austrotaxine 84.07
C00039219 Fokienagarofuran D
(+)-Fokienagarofuran D		 83.90
C00043085 Trifoliolasine D
(-)-Trifoliolasine D		 83.90
C00043388 Chiapenine ES-III 83.19
C00003448 Kansuinine B 83.19
C00013144 Celahin D
Elat 5
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol 6,7,10-triacetate 4,5-dibenzoate		 83.19
C00032079 Norstaminol A
(-)-Norstaminol A		 83.19
C00032158 Siphonol A
(-)-Siphonol A		 83.19
C00032161 Siphonol D
(-)-Siphonol D		 83.19
C00016325 F 10863A
Squalene synthase inhibitor compd. A
Zaragozic acid D3		 82.30
C00016327 F 10863C 82.30
C00032198 Staminol B
(-)-Staminol B		 82.30
C00041158 Taxchinin H 82.30
C00044347 Taxuspinanane J 82.30
C00013164 Acetylmaymyrsine
Maymyrsine acetate
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-7-(benzoyloxy)octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 81.42
C00017795 WK 142B 81.42
C00032067 Neoorthosiphol B
(+)-Neoorthosiphol B		 81.42
C00032098 Orthosiphol H
(-)-Orthosiphol H		 81.42
C00039807 Mutangin 81.42
C00041151 Taxchin B 81.42
C00043003 Smilaside A 81.42
C00043087 Trifoliolasine F
(-)-Trifoliolasine F		 81.42
C00049414 2'-Deacetylaustrotaxine
(-)-2'-Deacetylaustrotaxine		 81.42
C00043962 Taxayuntin C 81.20
C00031129 RA V 80.70
C00041253 1-Deoxypaclitaxel 80.65
C00041012 Hyponine C 80.62
C00013114 Cathedulin K 15
Catheduline K 15		 80.53
C00027889 Aquifoliunine E-III 80.53
C00041137 Taxagifine 80.53
C00041200 Taxuspine S
(-)-Taxuspine S		 80.53
C00045289 Dantaxusin C 80.53
C00046056 Kansuinin C
(+)-Kansuinin C		 80.53
C00046511 Wilfordinine J 80.53
C00046976 Wilfordinine A 80.53
C00049426 Austrospicatine 80.53
Page Top