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


and

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




INPUT WORD = C00013144 , 50% or more
[ Metabolite Name : 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 ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
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		 92.31
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		 92.31
C00013129 Maytolidine 91.51
C00013130 Ejap 6 91.35
C00032079 Norstaminol A
(-)-Norstaminol A		 91.35
C00039807 Mutangin 91.35
C00038166 15-Acetoxyorbiculin G 90.65
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		 90.38
C00033274 Orthosiphol F
(-)-Orthosiphol F		 90.38
C00038185 1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran
(+)-1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran		 89.72
C00033387 Staminolactone A
(-)-Staminolactone A		 89.52
C00033388 Staminolactone B
(-)-Staminolactone B		 89.52
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		 89.42
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		 89.42
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		 89.42
C00032198 Staminol B
(-)-Staminol B		 89.42
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		 88.89
C00039218 Fokienagarofuran A 88.79
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		 88.70
C00038331 8-Benzoyloxymutangin 88.70
C00013131 Celangulin 88.46
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		 88.46
C00032066 Neoorthosiphol A
(-)-Neoorthosiphol A		 88.46
C00032159 Siphonol B
(-)-Siphonol B		 88.46
C00032160 Siphonol C
(-)-Siphonol C		 88.46
C00033278 Orthosiphonone A
(-)-Orthosiphonone A		 88.46
C00038159 Taxayuntin
13-Decinnamoyl-taxchinin B		 88.46
C00045039 Reissantin B 87.61
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 87.50
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 87.50
C00032067 Neoorthosiphol B
(+)-Neoorthosiphol B		 87.50
C00033272 Orthosiphol A 87.50
C00033279 Orthosiphonone B 87.50
C00043087 Trifoliolasine F
(-)-Trifoliolasine F		 87.50
C00044975 Orthosiphol O
(-)-Orthosiphol O		 87.50
C00046252 Orthosiphol L
(-)-Orthosiphol L		 87.50
C00003448 Kansuinine B 87.04
C00041147 Taxayuntin A 86.54
C00001967 Catheduline E2 85.98
C00002726 4'-Cinnamoylmussatioside 85.58
C00013136 Pringlein 85.58
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 85.58
C00031269 Salasol B 85.58
C00033273 Orthosiphol B 85.58
C00037888 Taxinine M 85.58
C00040784 1-Dehydroxybaccatin VI
(-)-1-Dehydroxybaccatin VI		 85.58
C00043967 Taxezopidine K
(+)-Taxezopidine K		 85.58
C00044976 Orthosiphol R
(-)-Orthosiphol R		 85.58
C00032158 Siphonol A
(-)-Siphonol A		 85.45
C00032161 Siphonol D
(-)-Siphonol D		 85.45
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