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


and

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




INPUT WORD = C00013217 , 50% or more
[ Metabolite Name : Chamaecynone , Chamecynone , [1S-(1alpha,4abeta,7beta,8abeta)]-7-Ethynyl-4a,5,6,7,8,8a-hexahydro-1,4a-dimethyl-2(1H)-naphthalenone ]
Number of matched data : 59

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00013218 Isochamaecynone
[1R-(1alpha,4aalpha,7alpha,8aalpha)]-7-ethynyl-4a,5,6,7,8,8a-Hexahydro-1,4a-dimethyl-2(1H)-naphthalenone		 100.00
C00013214 (+)-Chamecynenol
(1alpha,4aalpha,7alpha,8aalpha)-(+)-7-ethynyl-1,2,4a,5,6,7,8,8a-Octahydro-4a-methyl-1-naphthalenemethanol		 96.77
C00013215 Dehydrochamecynenol
(-)-Dehydrochamecynenol
[4aS-(4aalpha,7alpha,8aalpha)]-7-Ethynyl-4a,5,6,7,8,8a-hexahydro-4a-methyl-1-naphthalenemethanol		 96.77
C00013216 Dehydrochamecynenal
(4aalpha,7alpha,8aalpha)-7-Ethynyl-4a,5,6,7,8,8a-Hexahydro-4a-methyl-1-naphthalenecarboxaldehyde		 93.55
C00013219 7beta-ethynyl-4a,5,6,7,8,8abeta-Hexahydro-1alpha-hydroxy-1,4ab-dimethyl-2(1H)-naphthalenone 90.91
C00021879 Mayurone 90.63
C00020186 Khusilal 90.32
C00021589 15-Nor-2-acoren-4-one 90.32
C00044028 (-)-Eudesma-1,4(15),11-triene 90.32
C00012854 Aubergenone
Mangeudesmenone
[1R-(1alpha,4aalpha,7alpha,8abeta)]-4a,5,6,7,8,8a-Hexahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2(1H)-naphthalenone		 88.57
C00044508 Ainigmaptilone A
(+)-Ainigmaptilone A		 88.57
C00012748 Isocyperol
(-)-Eudesma-4(14),11-dien-3alpha-ol
[2R-(2alpha,4abeta,7beta,8aalpha)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-2-naphthalenol		 87.88
C00012761 1,2-Dehydro-alpha-cyperone
(+)-Eudesma-1,4,11-trien-3-one
(4aS-cis)-5,6,7,8-Tetrahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(4aH)-naphthalenone		 87.88
C00046525 Xenitorin B
(-)-Xenitorin B		 87.88
C00011715 Periplanone C
Periplanone D1		 87.50
C00011716 (-)-Periplanone D
Periplanone D
Periplanone D2		 87.50
C00011724 4(15),5E,10(14)-Germacratrien-1alpha-ol 87.50
C00012013 [1S-(1alpha,2beta,3alpha,5alpha)]-2-Ethenyl-2-methyl-3,5-bis(1-methylethenyl)-cyclohexanol 87.50
C00012018 (-)-beta-Elemenal
(-)-Elema-1,3,11(13)-trien-12-al		 87.50
C00011971 Bicycloelemene
(-)-Bicycloelemene
3-Ethenyl-3,7,7-trimethyl-2-(1-methylethenyl)bicyclo[4.1.0]heptane		 87.10
C00012454 gamma-Humulene
Isohumulene		 87.10
C00029672 alpha-Selinene
(-)-alpha-Selinene		 87.10
C00030189 epi-alpha-Selinene 87.10
C00035434 (-)-cis-beta-Elemene 87.10
C00036271 (-)-beta-Elemene 87.10
C00036276 (-)-Eudesma-2,4(15)-11-triene 87.10
C00036298 (+)-alpha-Selinene 87.10
C00048297 7-epi-alpha-Selinene 87.10
C00049260 Penidienone
(-)-Penidienone		 87.10
C00044509 Ainigmaptilone B
(-)-Ainigmaptilone B		 85.71
C00021321 4-Longipinanone 85.29
C00021867 Copaenol 85.29
C00021882 Thujopsenone 85.29
C00021984 Lemnalol 85.29
C00033674 beta-Copaen-4-alpha-ol 85.29
C00003135 Glutinosone 84.85
C00012732 (+)-Occidentalol
Occidentalol
10alpha-Eudesma-1,3-dien-11-ol
[2R-(2alpha,4abeta,8abeta)]-1,2,3,4,4a,8a-hexahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol		 84.85
C00012734 alpha-Dictyopterol
Eudesma-3,11-dien-1beta-ol
[1S-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,7,8,8a-Octahydro-4,8a-dimethyl-6-(1-methylethenyl)-1-naphthalenol		 84.85
C00012737 alpha-Costol
(-)-alpha-Costol
[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-beta-methylene-2-naphthaleneethanol		 84.85
C00012740 Cyperol 84.85
C00012746 beta-Dictyopterol
(1alpha,4abeta,6alpha,8aalpha)-(+-)-Decahydro-8a-methyl-4-methylene-6-(1-methylethenyl)-1-naphthalenol		 84.85
C00012747 Dictyopterone
Eudesma-4(14),11-dien-1-one		 84.85
C00012749 (+)-beta-Costol
(+)-Costol
beta-Costol
Sesquibenihiol
Eudesma-4(14),11(13)-dien-12-ol
[2R-(2alpha,4aalpha,8abeta)]-Decahydro-4a-methyl-b,8-bis(methylene)-2-naphthaleneethanol		 84.85
C00012750 (+)-Costal
Costic aldehyde
(+)-beta-Costal
Eudesma-4(14),11(13)-dien-12-al		 84.85
C00012804 Eudesm-4(15)-en-5-ol
[3R-(3alpha,4abeta,8aalpha)]-Octahydro-8a-methyl-5-methylene-3-(1-methylethyl)-4a(2H)-naphthalenol		 84.85
C00012806 Acolamone
[2S-(2alpha,4aalpha,8abeta)]-Octahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1(2H)-naphthalenone		 84.85
C00012819 Eudesm-4(14)-en-9-one 84.85
C00016987 (+)-Nootkatone
Nootkanone
Nootkatone
4betaH,5alpha-Eremophila-1(10),11-dien-2-one		 84.85
C00016990 Eremophila-1,11-dien-9-one 84.85
C00020144 Isoepicubenol 84.85
C00020249 4,10(14)-Oplopadien-3-ol 84.85
C00020410 Pogostol 84.85
C00020738 [3aR-(1Z,3aalpha,7beta,7abeta)]-1-Ethylideneoctahydro-4-methylene-7-(1-methylethyl)-2H-inden-2-one 84.85
C00021311 alpha-Torosol 84.85
C00021917 Faurinone 84.85
C00030525 Isofaurinone 84.85
C00036277 (-)-Eudesma-3,11-dien-5-ol 84.85
C00036292 (-)-trans-Selina-4(15),11-dien-5-ol 84.85
C00037012 Dehydrocarissone 84.85
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