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


and

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




INPUT WORD = C00017004 , 50% or more
[ Metabolite Name : Isopetasan , Dehydrofukinone , 3-Desoxyisopetasol ]
Number of matched data : 76

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00017007 (+)-Isopetasol
Isopetasol
3alpha-Hydroxy-eremophila-7(11),9-dien-8-one		 94.29
C00017014 Hydroxyeremophilone 94.29
C00029294 (+)-Aristolone 94.12
C00016991 Alloeremophilone
3-Desoxyneopetasol
Eremophila-9,11-dien-8-one
Neopetasan		 93.94
C00017003 Fukinone
(+)-Eremophil-7(11)-en-8-one		 93.94
C00017009 (+)-Petasol
Petasol
Sencathenone		 91.43
C00017339 9,10-Dehydrofuranoeremophilane 91.18
C00016976 (-)-Aristolochene
Aristolochen
Aristolochene		 90.91
C00016988 Isofukinone 90.91
C00017001 (-)-Jinkoheremol
Jinkoheremol		 90.91
C00017470 alpha-Ferulene
(+)-9-Aristolene		 90.91
C00017471 (-)-9-Aristolene
Aristolene
(-)-Aristolene		 90.91
C00036300 (+)-Aristolochene 90.91
C00038563 Axinysone A
(+)-Axinysone A		 88.89
C00038564 Axinysone B
(+)-Axinysone B		 88.89
C00030068 Curcumenone 88.57
C00041900 Suberosenone
(+)-Suberosenone		 88.24
C00003198 alpha-Vetivone 87.88
C00007635 CID is old! 87.88
C00011606 beta-Bisabolol 87.88
C00011609 alpha-Bisabol-1-one
1-Bisabolone		 87.88
C00016992 beta-Vetivenene 87.88
C00017002 [2R-(2alpha,8alpha,8aalpha)]-1,2,3,5,6,7,8,8a-Octahydro-alpha,alpha,8,8a-tetramethyl-2-naphthalenemethanol 87.88
C00021717 Spirojatamol 87.88
C00021845 Campherenone 87.88
C00029559 (+)-5-epi-Aristolochene
5-epi-Aristolochene
(+)-Epiaristolochene		 87.88
C00046525 Xenitorin B
(-)-Xenitorin B		 87.88
C00017375 (4aR-cis)-4a,5,6,7-Tetrahydro-3,4a,5-trimethyl-naphtho[2,3-b]furan-8(4H)-one 86.11
C00016995 Warburgiadione
Eremophila-1,7(11),9-triene-3,8-dione		 85.71
C00020416 Procurcumenol 85.71
C00011600 [S-(R*,S*)]-6-(1,5-Dimethyl-3-oxo-4-hexenyl)-3-methyl-2-cyclohexen-1-one 85.29
C00011676 6-(1,5-Dimethyl-4-hexenyl)-6-hydroxy-3-methyl-2-cyclohexen-1-one 85.29
C00011680 [S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenal 85.29
C00011681 6-(1,5-Dimethyl-4-hexenyl)-3-(hydroxymethyl)-2-cyclohexen-1-one 85.29
C00017472 (-)-1abeta,2,4alpha,5,6,7,7a,7bbeta-Octahydro-1,1,7beta,7abeta-tetramethyl-1H-cyclopropa[a]naphthalen-4-ol 85.29
C00021796 Ceratopicanol 85.29
C00021822 Silphiperfol-6-en-5-one
6-Silphiperfolen-5-one		 85.29
C00021849 (+)-alpha-Santalan-12-one 85.29
C00021876 7,12-Seco-12-ishwaranol 85.29
C00021893 Gymnomitrol 85.29
C00039317 Gymnomitrone 85.29
C00040487 Thujopsenol 85.29
C00041641 Mairetin
(-)-Mairetin		 85.29
C00043049 Suberosenol A
(-)-Suberosenol A		 85.29
C00046939 Suberosanone
(-)-Suberosanone		 85.29
C00046941 Suberosenol B
(-)-Suberosenol B		 85.29
C00003111 alpha-Cedrene
Cedrene
Cedr-8-ene
(-)-Cedrene		 84.85
C00003183 beta-Santalol
(E)-beta-Santalol		 84.85
C00003199 beta-Vetivone 84.85
C00011445 Dendrolasin 84.85
C00011556 [R-(Z,E)]-5-(2,2-Dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadien-1-ol 84.85
C00011557 gamma-Monocyclofarnesol
trans-gamma-Monocyclofarnesol		 84.85
C00012511 (-)-delta-Cuparenol
(S)-2-Hydroxycuparene
delta-Cuparenol
Cuparophenol
(S)-2-Methyl-5-(1,2,2-trimethylcyclopentyl)phenol		 84.85
C00012543 (-)-alpha-Herbertenol
alpha-Herbertenol
4-Hydroxyisocuparene
(S)-4-Methyl-2-(1,2,2-trimethylcyclopentyl)phenol		 84.85
C00012739 (R)-3,4,6,7,8,8a-Hexahydro-5,8a-dimethyl-3-(1-methylethylidene)-2(1H)-nphthalenone 84.85
C00012748 Isocyperol
(-)-Eudesma-4(14),11-dien-3alpha-ol
[2R-(2alpha,4abeta,7beta,8aalpha)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-2-naphthalenol		 84.85
C00012762 4(14),7(11)-Eudesmadien-8-one
Selina-4(14),7(11)-dien-8-one
(4aS-trans)-Octahydro-8a-methyl-5-methylene-3-(1-methylethylidene)-2(1H)-naphthalenone		 84.85
C00012775 (4aR-trans)-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-1-methylene-7-(1-methylethylidene)naphthalene 84.85
C00013553 (1R,3aR,4R,7aS)-Octahydro-3a-methyl-7-methylene-1-(2-methyl-1-propenyl)-1H-inden-4-ol
[1R-(1alpha,3abeta,4beta,7aalpha)]-octahydro-3a-methyl-7-methylene-1-(2-methyl-1-propenyl)-1H-inden-4-ol		 84.85
C00016987 (+)-Nootkatone
Nootkanone
Nootkatone
4betaH,5alpha-Eremophila-1(10),11-dien-2-one		 84.85
C00016993 (-)-Nootkatene
Nootkatene		 84.85
C00016999 (+)-Valerianol
Kusenol
Kusunol
Valerianol		 84.85
C00017000 Eremoligenol
Eremophil-1(10)-en-11-ol		 84.85
C00017005 Eremofukinone 84.85
C00017467 1(10),8-Aristoladiene
Aristola-1(10),8-diene
Aristolediene
1,2,9,10-Tetradehydroaristolane		 84.85
C00020393 4-Hydroxy-beta-bulnesene 84.85
C00020396 Calamusenone 84.85
C00021329 Longicyclene 84.85
C00021610 Chamigrenal 84.85
C00021722 Di-epi-alpha-cedrene
alpha-Funebrene		 84.85
C00021844 Campherenol 84.85
C00021857 (E)-beta-Santalal 84.85
C00033217 Montiporyne M 84.85
C00037115 Eremophila-1(10),8,11-triene 84.85
C00038054 (-)-Eudesm-7(11)-en-4alpha-ol
Juniper camphor		 84.85
C00040349 Spirolepechinene
(-)-Spirolepechinene		 84.85
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