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


and

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




INPUT WORD = C00016967 , 50% or more
[ Metabolite Name : Petasitin ]
Number of matched data : 53

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003169 Petasin 91.84
C00050236 S-Petasitin 91.84
C00017367 3beta-Angeloyloxyfuranoeremophilane 87.76
C00050185 Petasinol
(+)-Petasinol		 87.76
C00050187 Petasone B
(-)-Petasone B		 87.76
C00012906 [4aR-[4aalpha,5alpha,6alpha(Z),8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 86.00
C00017348 [4aR-[4aalpha,5alpha,7alpha,8aalpha(Z)]]-4,5,6,7,8,9-Hexahydro-7-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-8a(4aH)-yl ester 2-methyl-2-butenoic acid 86.00
C00017358 [4S-[4alpha(Z),4aalpha,5alpha,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 86.00
C00017411 Euryopsonol angelate
3alpha-Angeloyloxy-9-oxofuranoeremophilane		 86.00
C00017436 6beta-Angeloyloxy-9,10-didehydrofuranoeremophilan-1-one 86.00
C00000273 Nagilactone F 85.71
C00020243 2alpha-Angeloyloxy-9-oxoisoanhydrooplopanone 85.71
C00021406 Lapidin 85.71
C00023445 Friedolabdaturbinic acid 85.71
C00023447 Relhaniaic acid 85.71
C00042990 seco-Hinokiol
(+)-seco-Hinokiol		 85.71
C00046986 12-Hydroxydehydroabietic acid
(+)-12-Hydroxydehydroabietic acid		 85.71
C00049984 Angustanoic acid F 85.71
C00050186 Petasone A
(+)-Petasone A		 85.71
C00003476 (13R)-Premarrubiin 84.62
C00023347 (13S)-Premarrubiin 84.62
C00017392 [1aS-[1aalpha,4alpha,4aalpha,5alpha(Z),9aS*]]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-butenoic acid 84.31
C00017354 [4aR-[4aalpha,5alpha,6alpha(Z),8aalpha,9alpha]]-4,4a,5,6,7,8,8a,9-Octahydro-9-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 84.00
C00017409 2alpha-(Angelyloxy)-9-oxo-10alphaH-furoeremophilane 84.00
C00021807 5alpha-Angeloyloxy-11beta-hydroxysilphinen-3-one 84.00
C00022361 8alpha,12R-Epoxy-13E-labden-1beta,6beta,11alpha-triol 84.00
C00022362 8alpha,12R-Epoxy-6beta,11alpha-dihydroxy-13E-labden-1-one 84.00
C00023440 ent-13,14-Epoxy-15-hydroxy-1(10)-halimen-18-oic acid 84.00
C00034400 7-Oxo-15-hydroxydehydroabietic acid 84.00
C00040763 12,15-Dihydroxyabieta-8,11,13-trien-18-oic acid 84.00
C00048934 19-Hydroxy-royleanone 84.00
C00049001 Methyl 15-hydroxydehydroabietate 84.00
C00011419 [R-[R*,R*-(Z,E,E,E)]]-1-(3,3-Dimethyloxiranyl)-9-hydroxy-3,7-dimethyl-3,5,7-nonatrienyl ester 2-methyl-2-butenoic acid 83.67
C00012174 Hallerin 83.67
C00012451 Chatferin 83.67
C00012696 3-O-Angeloylcuauhtemone
Cuauhtemone-3-angelicate
[1S-[1alpha,2alpha(Z),4abeta,8aalpha]]-Decahydro-1-hydroxy-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester 2-methyl-2-butenoic acid		 83.67
C00013069 Irazunolide
[3aR-(3aalpha,4alpha,5abeta,9aalpha,9bbeta)]-4-(Acetyloxy)-3a,5,5a,9,9a,9b-hexahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2,8(3H,4H)-dione		 83.67
C00016971 Eremofortin C 83.67
C00017010 Petasol ester B
S-Petasin
Petasyl (Z)-3-(methylthio)acrylate		 83.67
C00017012 Neo-S-petasin 83.67
C00017364 Furanojaponin 83.67
C00017370 Albopetasin
Albopetasine		 83.67
C00020106 [1S-[1alpha,2beta(Z),8aalpha]]-1,2,3,5,6,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)-6-oxo-2-naphthalenyl ester 2-methyl-2-butenoic acid 83.67
C00020740 [1-Acetyloctahydro-4-hydroxy-7-(1-methylethyl)-1H-inden-4-yl]methyl ester 2-methyl-2-butenoic acid 83.67
C00021410 Vaginatin
Crispanone		 83.67
C00021686 Salonitenolide 8-O-angelate 83.67
C00029401 15-Hydroxydehydroabietic acid 83.67
C00030453 Hanagokenol A 83.67
C00030622 Lambertic acid
(+)-Lambertic acid		 83.67
C00033535 18-Hydroxyhugorosenone
(+)-18-Hydroxyhugorosenone		 83.67
C00037366 Kanshone F
(-)-Kanshone F		 83.67
C00040743 (+)-(4->2)-abeo-Kolavelool-3-oic acid 83.67
C00047642 15-Hydroxy-6-en-dehydroabietic acid
(-)-15-Hydroxy-6-en-dehydroabietic acid		 83.67
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