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


and

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




INPUT WORD = C00013137 , 50% or more
[ Metabolite Name : 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 ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
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		 92.86
C00039807 Mutangin 92.86
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		 92.16
C00013136 Pringlein 91.84
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		 90.82
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		 90.38
C00013154 [3S-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol, 5-acetate 4,6-dibenzoate 89.80
C00031269 Salasol B 89.80
C00046249 Orbiculin F
(+)-Orbiculin F		 89.80
C00039218 Fokienagarofuran A 89.72
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		 89.42
C00013131 Celangulin 88.78
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 88.78
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 88.78
C00013142 Ejap 5
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 5,6,7,10-tetraacetate 4-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol		 88.78
C00013130 Ejap 6 88.12
C00038159 Taxayunnansin A
Taxayuntin
13-Decinnamoyl-taxchinin B		 88.00
C00041147 Taxayuntin A 87.88
C00013145 Ejap 4
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7,10-tetraacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol		 87.76
C00035955 6alpha-Acetoxy-9beta-benzoyloxy-1beta-cinnamoyloxy-8beta-(2-methylbutanoyloxy)-beta-dihydroagarofuran 87.76
C00038166 15-Acetoxyorbiculin G 86.92
C00036220 Taxinine B 86.87
C00013133 Cathidine D 86.73
C00013163 Maymyrsine
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-7-(benzoyloxy)octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 86.73
C00013166 [3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 6,7,10-triacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,10-tetrol 86.73
C00032101 Orthosiphol N
(-)-Orthosiphol N		 86.73
C00041119 Scutalpin L 86.73
C00041155 Taxchinin D 86.73
C00043058 Taxiflorine
(-)-Taxiflorin		 86.73
C00045038 Reissantin A 86.73
C00033273 Orthosiphol B 86.27
C00013129 Maytolidine 85.85
C00013139 Maytine 85.71
C00024839 Barbaline 85.71
C00044977 Orthosiphol T
(-)-Orthosiphol T		 85.71
C00046246 Orbiculin A 85.71
C00032079 Norstaminol A
(-)-Norstaminol A		 85.58
C00033274 Orthosiphol F
(-)-Orthosiphol F		 85.29
C00043967 Taxezopidine K
(+)-Taxezopidine K		 85.15
C00038185 1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran
(+)-1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran		 85.05
C00040855 9-Deacetylbaccatin VI 85.00
C00049411 13-Deacetylbaccatin VI 85.00
C00013147 [3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-, 4,6,7,10-tetraacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol 84.69
C00013153 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 4,5,10-triacetate 6-benzoate 84.69
C00013167 Cathedulin 8
Cathedulin E 8
Catheduline E 8
(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha)-[6,7-bis(Acetyloxy)-5-(benzoyloxy)octahydro-4-hydroxy-2,2,9-trimethyl-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester 3-pyridinecarboxylic acid		 84.69
C00032099 Orthosiphol K
(-)-Orthosiphol K		 84.69
C00043056 Tasumatrol F
(+)-Tasumatrol F		 84.69
C00043057 Tasumatrol G
(-)-Tasumatrol G		 84.69
C00044981 Orthosiphol X
(-)-Orthosiphol X		 84.69
C00046571 2,9,10,13-Tetraacetoxy-20-cinnamoyloxy-taxa-4(5),11(12)-diene
(+)-2,9,10,13-Tetraacetoxy-20-cinnamoyloxy-taxa-4(5),11(12)-diene		 84.69
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