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


and

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




INPUT WORD = C00044886 , 50% or more
[ Metabolite Name : Litseahumulane A , (-)-Litseahumulane A ]
Number of matched data : 69

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00044887 Litseahumulane B
(-)-Litseahumulane B		 97.06
C00012478 Caryophyllenol I 94.12
C00012479 Caryophyllenol II 94.12
C00021474 7-Protoilluden-6-ol 94.12
C00012502 Bicyclohumulenedione
[1S-(1R*,5S*,10R*)]-1,5,8,8-tetramethylbicyclo[8.1.0]undecane-2,6-dione		 91.43
C00020109 10-Hydroxy-cadin-4-en-3-one 91.43
C00020137 (-)-1beta,10betaH-Cadin-4-ene-3alpha,10-diol 91.43
C00020139 1beta,10betaH-Cadin-4-ene-3beta,10-diol 91.43
C00022013 1,5,8,8-Tetramethyl-8-bicyclo[8.1.0]undecene-2,9-diol 91.43
C00011465 Isodavanone
[2alpha(E),5alpha]-(+)-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-4-hepten-3-one		 91.18
C00011701 [1S-(1R*,4S*,5E,7R*)]-4-Methyl-10-methylene-7-(1-methylethyl)-5-cyclodecene-1,4-diol 91.18
C00012483 (-)-beta-Caryophyllene epoxide
beta-Caryophyllene oxide
(-)-Epoxydihydrocaryophyllene
beta-Caryophyllene epoxide
4beta,5alpha-Epoxycaryophyllene
6,7-Epoxy-3(15)-caryophyllene
Caryophyllene 4beta,5alpha-epoxide
trans-Caryophyllene oxide
Betula pubescens
Caryophyllene oxide		 91.18
C00012488 Buddledin C 91.18
C00012489 Buddledin D 91.18
C00012740 Cyperol 91.18
C00020059 10beta,15-Epoxykhusinol
1beta,6alpha,7betaH-Cadina-4,10(15)-dien-3alpha-ol		 91.18
C00020641 1beta-Hydroperoxy-4(15),5E,10(14)-germacratriene 91.18
C00021212 Palustrol 91.18
C00021238 Hydroxyalloaromadendrene 91.18
C00021322 Marsupellol 91.18
C00021796 Ceratopicanol 91.18
C00029912 Caryophylladienol I 91.18
C00029913 Caryophylla-4(12),8(13)-dien-5beta-ol
Caryophylladienol II
Caryophylla-4(12),8(13)-dien-5alpha-ol		 91.18
C00030519 Isobonducellin
Isocaryophyllene oxide
(Z)-7-Hydroxy-3-(4'-methoxybenzylidene)chroman-4-one		 91.18
C00030520 CID is old! 91.18
C00031538 2,9-Humuladien-6-ol-8-one
(-)-2,9-Humuladien-6-ol-8-one		 91.18
C00040307 Sinugibberodiol
(-)-Sinugibberodiol		 91.18
C00044740 Eleganodiol 91.18
C00044885 Litseagermacrane
(+)-Litseagermacrane		 91.18
C00045355 Muurola-4,10(14)-dien-3-one
(-)-Muurola-4,10(14)-dien-3-one		 91.18
C00046150 Millecrone B 91.18
C00048855 Sinunorcaryophyllenol 91.18
C00039346 Hebelophyllene A
(-)-Hebelophyllene A		 89.19
C00039347 Hebelophyllene B
(-)-Hebelophyllene B		 89.19
C00012434 (-)-1,10-Epoxy-4(14)-lepidozen-5-ol
1,10-Epoxy-4(14)-lepidozen-5-ol		 88.89
C00012477 12,12-Dimethyl-9-methylene-5-Oxatricyclo[8.2.0.04,6]dodecane-4-methanol 88.89
C00012484 [1R-(1R*,4R*,6R*,10S*,12R*)]-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane-12-methanol 88.89
C00021776 Clovane-2beta,9alpha-diol
Cloven-2beta,9alpha-diol
Clovanediol		 88.89
C00022001 Tricyclohumuladiol 88.89
C00041810 Russujaponol D
(-)-Russujaponol D		 88.89
C00046841 Omphadiol
(+)-Omphadiol		 88.89
C00047355 Suberosol B
(-)-Suberosol B		 88.89
C00012460 (1R*,3E,7E,11S*)-(+)-5,5,8-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-1-methanol
1alpha,10beta-Epoxy-alpha-humulen-14-ol		 88.57
C00012461 (1R*,3E,7E,11R*)-(+)-5,5,8-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-1-carboxaldehyde
6alpha,7beta-Epoxy-2,9-humuladien-14-al		 88.57
C00012486 Lychnophoric acid 88.57
C00012688 Isobrasudol
[2S-(2alpha,4abeta,5beta,8aalpha)]-5-Bromodecahydro-4a-methyl-8-methylene-2-(1-methylethyl)-2-naphthalenol		 88.57
C00012722 7-Hydroxy-beta-costol
(+)-7-Hydroxycostol
Petrovin B
[2S-(2alpha,4abeta,8aalpha)]-Decahydro-2-hydroxy-4a-methyl-b,8-bis(methylene)-2-naphthaleneethanol		 88.57
C00012760 (+)-12-Hydroxy-alpha-cyperone
(4aS-cis)-4,4a,5,6,7,8-Hexahydro-7-[1-(hydroxymethyl)ethenyl]-1,4a-dimethyl-2(3H)-naphthalenone		 88.57
C00012781 [2R-(2alpha,4aalpha,5alpha,8abeta)]-Decahydro-5-hydroxy-a,a,4a-trimethyl-8-methylene-2-naphthalenemethanol 88.57
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
C00012818 (2R-trans)-3,4,4a,5,6,7-Hexahydro-2-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1(2H)-naphthalenone
7alpha-Hydroxyneoacolamone		 88.57
C00012827 [3R-(3alpha,4abeta,7beta)]-2,3,4,4a,5,6,7,8-Octahydro-3-hydroxy-4a-methyl-7-(1-methylethenyl)-1-naphthalenecarboxaldehyde 88.57
C00020053 1(10),4-Cadinadiene-3,9-diol
3,9-Dihydroxy-delta-cadinene		 88.57
C00020107 Schisandronol 88.57
C00020138 10-Hydroxy-4-muurolen-3-one 88.57
C00021778 Poitediol 88.57
C00021915 Dipterolone 88.57
C00021927 11-Hydroxyjasionone 88.57
C00022006 Cyperusol C 88.57
C00022015 Ligucyperonol 88.57
C00030610 Kikkanol B
(-)-Kikkanol B		 88.57
C00037985 Verticillatol
(-)-Verticillatol		 88.57
C00042280 beta-Santaldiol
(-)-beta-Santaldiol		 88.57
C00046110 Madolin W 88.57
C00046456 Teclenone B
(+)-Teclenone B		 88.57
C00046528 Xenitorin E
(-)-Xenitorin E		 88.57
C00046529 Xenitorin F
(-)-Xenitorin F		 88.57
C00050331 Artabotrol 88.57
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