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


and

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




INPUT WORD = C00017009 , 50% or more
[ Metabolite Name : (+)-Petasol , Petasol , Sencathenone ]
Number of matched data : 54

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00017007 (+)-Isopetasol
Isopetasol
3alpha-Hydroxy-eremophila-7(11),9-dien-8-one		 97.14
C00038563 Axinysone A
(+)-Axinysone A		 94.44
C00038564 Axinysone B
(+)-Axinysone B		 94.44
C00017014 Hydroxyeremophilone 94.29
C00029294 (+)-Aristolone 94.29
C00016970 Eremofortin B 92.11
C00017295 Sporogen AO 1
(+)-13-Deoxyphomenone		 92.11
C00003108 Capsidiol 91.43
C00016977 Capsenone 91.43
C00016991 Alloeremophilone
3-Desoxyneopetasol
Eremophila-9,11-dien-8-one
Neopetasan		 91.43
C00017004 Isopetasan
Dehydrofukinone
3-Desoxyisopetasol		 91.43
C00041773 Pleodendione 91.43
C00043347 Canusesnol H
(+)-Canusesnol H		 91.43
C00038565 Axinysone C
(+)-Axinysone C		 89.47
C00043346 Canusesnol G
(+)-Canusesnol G		 89.19
C00003225 Bakkenolide A 88.89
C00003258 Eremofrullanolide 88.89
C00017337 Dihydroeremofrullanolide 88.89
C00021012 [3aR-(3aalpha,4abeta,5beta,9aalpha)]-3a,4,4a,5,6,7,8,9a-Octahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one 88.89
C00021320 10-Hydroxy-3-longipinen-5-one 88.89
C00021749 alpha-Isocedrene-14,15-dial 88.89
C00012790 alpha-Corymbolol
1,[1S-(1alpha,4beta,4aalpha,6beta,8abeta)]-Octahydro-4,8a-dimethyl-6-(1-methylethenyl)-4a(2H)-naphthalenediol		 88.57
C00012791 Corymbolone
[4S-(4alpha,4abeta,6alpha,8aalpha)]-Octahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone		 88.57
C00012853 Isocorymbolone
[4R-(4a,4aa,6b,8a,8ab)]-Octahydro-8-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone		 88.57
C00016976 (-)-Aristolochene
Aristolochen
Aristolochene		 88.57
C00016978 Dihydrocapsenone
[3R-(3alpha,4alpha,4abeta,6beta,8abeta)]-Octahydro-3-hydroxy-4,4a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone		 88.57
C00016981 [2R-(2alpha,8alpha,8aalpha)]-1,2,3,5,6,7,8,8a-Octahydro-8,8a-dimethyl-a-methylene-2-naphthaleneacetic acid 88.57
C00016988 Isofukinone 88.57
C00016995 Warburgiadione
Eremophila-1,7(11),9-triene-3,8-dione		 88.57
C00017016 [3S-(3alpha,4aalpha,5alpha,6beta,8aalpha)]-Octahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-1(2H)-naphthalenone 88.57
C00017470 alpha-Ferulene
(+)-9-Aristolene		 88.57
C00017471 Aristolene
(-)-9-Aristolene		 88.57
C00017472 (-)-1abeta,2,4alpha,5,6,7,7a,7bbeta-Octahydro-1,1,7beta,7abeta-tetramethyl-1H-cyclopropa[a]naphthalen-4-ol 88.57
C00020244 1(10)-Oplopene-4,9-dione 88.57
C00020385 Dolichlasin 88.57
C00021874 3-Oxoishwarane 88.57
C00035842 iso-Acorone 88.57
C00036300 (+)-Aristolochene 88.57
C00037985 Verticillatol
(-)-Verticillatol		 88.57
C00046262 Oxyphyllol C
(+)-Oxyphyllol C		 88.57
C00003171 Phomenone 87.50
C00017332 [3aR-(3aalpha,4abeta,5beta,6beta,9aalpha)]-3a,4,4a,5,6,7,8,9a-Octahydro-6-hydroxy-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one 86.84
C00017333 [3aR-(3aalpha,4abeta,5beta,9aalpha)]-3a,4a,5,7,8,9a-Hexahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2,6(3H,4H)-dione 86.84
C00012175 [3S-(3R*,3aR*,10E,11aR*)]-3a,5,6,8,9,11a-Hexahydro-3,10-dimethyl-6-methylene-cyclodeca[b]furan-2,7(3H,4H)-dione 86.49
C00012177 Gallicin 86.49
C00012178 [3R-(3R*,3aS*,10E,11aS*)]-3a,5,6,8,9,11a-Hexahydro-3,10-dimethyl-6-methylene-cyclodeca[b]furan-2,7(3H,4H)-dione 86.49
C00016983 3beta-Hydroxy-9,11(13)-eremophiladien-12-oic acid
[2R-(2alpha,7alpha,8alpha,8aalpha)]-1,2,3,5,6,7,8,8a-Octahydro-7-hydroxy-8,8a-dimethyl-alpha-methylene-2-naphthaleneacetic acid		 86.49
C00016984 3-Oxo-9,11(13)-eremophiladien-12-oic acid
[2R-(2alpha,8alpha,8aalpha)]-1,2,3,5,6,7,8,8a-Octahydro-8,8a-dimethyl-alpha-methylene-7-oxo-2-naphthaleneacetic acid		 86.49
C00016997 Lateriflorol 86.49
C00020386 8alpha-Hydroxydolichlasin 86.49
C00021750 alpha-Isocedrene-15,14-olide 86.49
C00021751 14,15-Epoxy-4-isocedren-14-ol 86.49
C00034362 11-epi-Gallicin 86.49
C00043153 13-Hydroxycapsidiol 86.49
Page Top