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


and

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




INPUT WORD = C00020397 , 50% or more
[ Metabolite Name : Rotundone ]
Number of matched data : 62

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00047669 4-Hydroxy-10-epirotundone
(-)-4-Hydroxy-10-epirotundone		 94.29
C00003139 Guaiol
(-)-Guaiol		 93.94
C00037538 Nardoguaianone J
(-)-Nardoguaianone J		 91.43
C00037539 Nardoguaianone K
(+)-Nardoguaianone K		 91.43
C00021206 Tridensenone 91.18
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		 90.91
C00012756 [4aR-(4aalpha,6beta,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 90.91
C00012757 [4aS-(4aalpha,6alpha,8abeta)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 90.91
C00012758 [4aS-(4aalpha,6alpha,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 90.91
C00012806 Acolamone
[2S-(2alpha,4aalpha,8abeta)]-Octahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1(2H)-naphthalenone		 90.91
C00020396 Calamusenone 90.91
C00022003 Cyperusol A2 89.19
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
C00021237 1-Aromadendren-10-ol 88.24
C00021284 Cyperotundone
Isopatchoulenone		 88.24
C00045807 Cubebenone
(+)-Cubebenone		 88.24
C00000164 (+)-beta-Eudesmol
beta-Eudesmol		 87.88
C00003191 Solavetivone 87.88
C00011715 Periplanone C
Periplanone D1		 87.88
C00011716 (-)-Periplanone D
Periplanone D
Periplanone D2		 87.88
C00011724 4(15),5E,10(14)-Germacratrien-1alpha-ol 87.88
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		 87.88
C00012736 Ent-8beta-hydroxyeudesma-3,11-diene
[2S-(2alpha,3alpha,4abeta,8aalpha)]-1,2,3,4,4a,7,8,8a-Octahydro-5,8a,dimethyl-3-(1-methylethenyl)-2-naphthalenol		 87.88
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		 87.88
C00012746 beta-Dictyopterol
(1alpha,4abeta,6alpha,8aalpha)-(+-)-Decahydro-8a-methyl-4-methylene-6-(1-methylethenyl)-1-naphthalenol		 87.88
C00012747 Dictyopterone
Eudesma-4(14),11-dien-1-one		 87.88
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
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		 87.88
C00012750 (+)-Costal
Costic aldehyde
(+)-beta-Costal
Eudesma-4(14),11(13)-dien-12-al		 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
C00012801 alpha-Verbesinol
[1R-(1alph,2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenol		 87.88
C00012802 Isoacolamone
[2S-(2alpha,4aalpha,8abeta)]-3,4,4a,5,6,8a-Hexahydro-4a,8-dimethyl-2-(1-methylethyl)-1(2H)-naphthalenone		 87.88
C00012803 7-epi-alpha-Eudesmol
[2S-(2alpha,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol		 87.88
C00012808 beta-Verbesinol
[1R-(1alpha,2alpha,4aalpha,8abeta)]-Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenol		 87.88
C00012812 Isointermedeol 87.88
C00012813 Kongol
Selin-11-en-4alpha-ol
5alpha,7alphaH-Eudesm-11(13)en-4alpha-ol
[1R-(1alpha,4abeta,7beta,8aalpha)]-decahydro-1,4a-dimethyl-7-(1-methylethenyl)-1-naphthalenol		 87.88
C00012814 Amiteol
[1R-(1alpha,4abeta,7beta,8abeta)]-Decahydro-1,4a-dimethyl-7-(1-methylethenyl)-1-naphthalenol		 87.88
C00012815 neo-Intermedeol
(-)-Neointermedeol
Neointermedeol
[1S-(1alpha,4aalpha,7alpha,8abeta)]-Decahydro-1,4a-dimethyl-7-(1-methylethenyl)-1-naphthalenol		 87.88
C00012816 (+)-Intermedeol
5beta,10alpha-Eudesm-11-en-4-ol
Intermedeol		 87.88
C00012819 Eudesm-4(14)-en-9-one 87.88
C00016987 (+)-Nootkatone
Nootkanone
Nootkatone
4betaH,5alpha-Eremophila-1(10),11-dien-2-one		 87.88
C00016991 Alloeremophilone
3-Desoxyneopetasol
Eremophila-9,11-dien-8-one
Neopetasan		 87.88
C00017515 (-)-Valeranone
(-)-Jatamansone		 87.88
C00020058 Khusinol
1beta,6alpha,7betaH-Cadina-4,10(15)-dien-2beta-ol		 87.88
C00020144 Isoepicubenol 87.88
C00020375 Guaia-1(5),6-diene
(1S-trans)-1,2,3,4,5,6-Hexahydro-1,4-dimethyl-7-(1-methylethyl)azulene		 87.88
C00020377 alpha-Guaiene
Guaia-1(5),11-diene		 87.88
C00020407 Karatavin 87.88
C00020409 Nardol 87.88
C00020410 Pogostol 87.88
C00021225 [1aR-(1aalpha,4alpha,7alpha,7abeta,7balpha)]-1a,2,3,4,6,7,7a,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene 87.88
C00034387 3,9-Dimethyl-6-isopropyl-2E,7E,9-decatrienal 87.88
C00036062 Buddledin E 87.88
C00036402 11-Hydroxyguaia-4,6-diene
trans-11-Hydroxyguaia-4,6-diene		 87.88
C00036991 Cypera-2,4-diene
(-)-Cypera-2,4-diene		 87.88
C00037332 Isoledene
(-)-Isoledene		 87.88
C00038047 (-)-7-epi-Isojunenol 87.88
C00038069 (+)-7-epi-Junenol 87.88
C00044028 (-)-Eudesma-1,4(15),11-triene 87.88
C00046524 Xenitorin A
(-)-Xenitorin A		 87.88
C00047686 6-Hydroxy-1-brasilene
(-)-6-Hydroxy-1-brasilene		 87.88
C00048351 Caryophylla-4(14),8(15)-dien-5alpha-ol 87.88
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