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


and

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




INPUT WORD = C00010833 , 50% or more
[ Metabolite Name : 2-Methyl-4-methoxy-5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester ]
Number of matched data : 59

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00010835 (E)-2-Methyl-[2-[5-methoxy-4-methyl-2-(2-methyl-1-oxopropoxy)phenyl]oxiranyl]methyl ester 94.34
C00010836 (E)-2-Methyl-4-methoxy-5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester 94.34
C00010837 2-Methyl-2-[2-[(acetyloxy)methyl]oxiranyl]-4-methoxy-5-methylphenyl ester 92.16
C00045150 1',2'-Epoxy-3',4'-di-isobutyryl-Z-coniferyl alcohol 92.16
C00010831 Diester with 4-(1,2-epoxy-1-methylethyl)-3-hydroxybenzyl alc. isobutyric acid 90.20
C00010832 2-Methyl-4-(1,2-epoxy-1-methylethyl)-3-hydroxybenzyl ester isobutyrate 90.20
C00010834 (E,E)-2-Methyl-4-methoxy-5-methyl-2-[2-[[(2-methyl-1-oxo-2-butenyl)oxy]methyl]oxiranyl]phenyl ester 89.09
C00045594 8-Hydroxy-9-isobutyryloxy-10(2)-methylbutyrylthymol 88.24
C00041020 Junipediol A 8-glucoside 86.27
C00049202 Leptin H
(+)-Leptin H		 86.27
C00017316 [1aR-(1aalpha,4alpha,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-hexahydro-4-hydroxy-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-propanoic acid 84.91
C00031400 Taiwaninal
(-)-Taiwaninal		 84.62
C00032282 Taiwaniaquinone F
(-)-Taiwaniaquinone F		 84.62
C00041021 Junipediol B 8-glucoside 84.62
C00011852 Acantholide 84.31
C00019936 Isomurralonginol isovalerate 84.31
C00021112 2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane 84.31
C00038116 10-Acetoxy-8,9-epoxythymolisobutyrate 84.31
C00041340 Angulifolide
(-)-Angulifolide		 84.31
C00042178 8,10-Epoxy-9-acetoxythymol angelate 84.31
C00049200 Leptin F
(+)-Leptin F		 84.31
C00049487 Morinin E 84.31
C00019824 Cyclohoehnelia coumarin 83.64
C00023367 Isodihydroclutiolide 83.02
C00025918 Jamtine
O,O-Dimethylhaiderine
O-Methylhirsutine
Deoxyjamtine N-oxide
(+)-Jamtine		 83.02
C00032273 Taiwaniaquinol A 83.02
C00035939 Feruloylquinic acid
3-O-Feruloylquinic acid
3-Ferulylquinic acid		 83.02
C00011611 3-O-Methylsenecioodontol 82.69
C00032276 Taiwaniaquinol D
(-)-Taiwaniaquinol D		 82.69
C00033552 2-Hydroxy-2-(2-hydroxy-4-methylphenyl)propane-1,3-diyl (2Z,2'Z)- bis(2-methylbut-2-enoate)
Hofmeisterin IV		 82.69
C00048932 16-Hydroxycarnosic acid 82.69
C00002724 3-O-Caffeoylquinic acid
Chlorogenic acid
Chlorogenate
Heriguard
Caffeoylquinic acid		 82.35
C00002727 Coniferin
Coniferoside		 82.35
C00003208 Alatolide 82.35
C00011171 trans-p-Feruloyl-beta-D-glucopyranoside 82.35
C00011664 (R)-2-(1,5-dimethyl-4-hexenyl)-4-hydroxy-5-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl ester 3-methylbutanoic acid 82.35
C00011738 Acanthamolide 82.35
C00011850 9-Hydroxyglabratolide 82.35
C00011856 Tagitinin C 82.35
C00011982 [3aS-(3aalpha,4beta,5beta,6alpha,7abataethenyl-5-(1-formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid 82.35
C00012369 Zeylanicin 82.35
C00017308 NSC 302301 82.35
C00017310 [4S-(4alpha,4aalpha,5beta,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid 82.35
C00017313 [4S-(4alpha,4aalpha,5alpha,6alpha)]-4,4a,5,6,7,9-Hexahydro-6-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-propenoic acid 82.35
C00017379 [1aR-(1aalpha,3alpha,4beta,4abeta,5beta,9aS*)]- 1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-propenoic acid 82.35
C00017386 [1aR-(1aalpha,4alpha,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methylpropanoic acid 82.35
C00019968 Murralonginol isovalerate 82.35
C00020076 [1R-[1alpha,2beta(Z),4alpha]]-1,2,3,4-Tetrahydro-7-hydroxy-1,6-dimethyl-4-(1-methylethyl)-2-naphthalenyl ester 2-methyl-2-butenoic acid 82.35
C00020077 [1S-[1alpha,2alpha(Z),4beta]]-1,2,3,4-Tetrahydro-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-2-naphthalenyl ester 2-methyl-2-butenoic acid 82.35
C00027838 Amathaspiramide B 82.35
C00030133 Dihydroconiferin 82.35
C00030807 Neochlorogenic acid
5-O-Caffeoylquinic acid
Caffeoylquinic acid
5-Caffeoylquinic acid		 82.35
C00033891 Grevilloside A
(-)-Grevilloside A		 82.35
C00033892 Grevilloside B
(-)-Grevilloside B		 82.35
C00033895 Grevilloside E
(-)-Grevilloside E		 82.35
C00034561 Japodagrone 82.35
C00037917 Thymoquinol 5-O-beta-glucopyranoside
(-)-Thymoquinol 5-O-beta-glucopyranoside		 82.35
C00043590 Hyperjovinol A
(+)-Hyperjovinol A		 82.35
C00049488 Morinin F 82.35
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