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


and

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




INPUT WORD = C00013149 , 50% or more
[ Metabolite Name : 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 ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00013150 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		 96.46
C00038331 8-Benzoyloxymutangin 92.17
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
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
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		 88.50
C00001967 Catheduline E2 87.61
C00038166 15-Acetoxyorbiculin G 86.73
C00038185 1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran
(+)-1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran		 85.84
C00041186 Taxuspine A 85.84
C00041197 Taxuspine P
(+)-Taxuspine P		 85.84
C00049494 N-Demethylnicaustrine
(+)-N-Demethylnicaustrine		 85.22
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
C00044347 Taxuspinanane J 84.96
C00049495 Nicaustrine
(+)-Nicaustrine		 84.62
C00027889 Aquifoliunine E-III 84.07
C00039219 Fokienagarofuran D
(+)-Fokienagarofuran D		 83.90
C00041160 Taxchinin J 83.48
C00043388 Chiapenine ES-III 83.19
C00013120 Evonine
[8R-(8R*,9R*,10R*,11S*,12S*,13R*,14R*,15S*,18S*,19S*,20S*,21S*)]-10,13,14,21-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,18,19-decahydro-20-hydroxy-8,18,19,20-tetramethyl-8,11-epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine-5,17,22-trione		 83.19
C00013137 Acetylpringleine
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 6,10-diacetate 5,7-dibenzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,9,10-pentol		 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
C00032098 Orthosiphol H
(-)-Orthosiphol H		 83.19
C00041221 Yunnanxol 83.19
C00049427 Austrotaxine 83.19
C00013191 Wilforidine
(8R,9R,10R,11S,12S,13R,14R,15S,21S,22S,23R)-[partial]-10,13,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,17,18,19,20-dodecahydro-14,18,21-trihydroxy-8,18,21-trimethyl-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17-dione		 82.46
C00041944 Tripfordine A 82.46
C00003448 Kansuinine B 82.30
C00013114 Cathedulin K 15
Catheduline K 15		 82.30
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		 82.30
C00032197 Staminol A
(-)-Staminol A		 82.30
C00033416 Taxuspine X 82.30
C00035955 6alpha-Acetoxy-9beta-benzoyloxy-1beta-cinnamoyloxy-8beta-(2-methylbutanoyloxy)-beta-dihydroagarofuran 82.30
C00041156 Taxchinin E 82.30
C00041158 Taxchinin H 82.30
C00046976 Wilfordinine A 82.30
C00028242 Emarginatine E 81.82
C00041153 Taxchinin B 81.82
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
C00032158 Siphonol A
(-)-Siphonol A		 81.42
C00032161 Siphonol D
(-)-Siphonol D		 81.42
C00041151 Taxchin B 81.42
C00049414 2'-Deacetylaustrotaxine
(-)-2'-Deacetylaustrotaxine		 81.42
C00046517 Wilfornine F 81.30
C00016326 F 10863B 80.87
C00016328 F 10863D 80.87
C00046516 Wilfornine E 80.70
C00013111 Catheduline K 2
Cathedulin K 2		 80.65
C00041253 1-Deoxypaclitaxel 80.65
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