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


and

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




INPUT WORD = C00010288 , 50% or more
[ Metabolite Name : 1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one ]
Number of matched data : 61

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00010286 1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one 90.91
C00022691 9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate 90.91
C00022686 6-Peroxy-7(9)-dehydro-6,7-dihydrogeranyl acetate 87.88
C00011378 2,10-Dihydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one 85.71
C00010295 3,7-Dimethyl-2,5-octadiene-1,7-diol 84.85
C00010818 cis-(+)-2-(Ethoxymethyl)-4-hydroxy-5-(1-methylethyl)-2-cyclohexen 84.85
C00022662 (E)-7-Hydroperoxy-3,7-dimethyl-, 3-acetate 1,5-octadien-3-ol 84.85
C00022688 6-Peroxy-7(9)-dehydro-2,3,6,7-tetrahydrogeranyl acetate 84.85
C00032567 (1R,4S)-1-Hydroperoxy-p-menth-2-en-8-ol acetate 84.85
C00011379 2-Hydroperoxy-10-hydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one 83.78
C00020138 10-Hydroxy-4-muurolen-3-one 82.86
C00012422 [1alpha,3beta(E)]-(+-)- 2,2-Dimethyl-3-(3-methyl-7-oxo-3-octenyl)cyclopropanecarboxaldehyde
Anthroplalone		 82.35
C00021236 Isosparthulenol
Isospathulenol		 82.35
C00021239 Squamulosone 82.35
C00000165 gamma-Eudesmol 81.82
C00011035 6-Acetoxy-trans-pinocarveol 81.82
C00011417 3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol 81.82
C00011426 2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol 81.82
C00011930 (+)-Cabreuva oxide B
Cabreuva oxide B		 81.82
C00011932 (-)-Cabreuva oxide D
Cabreuva oxide D		 81.82
C00012443 Humulene epoxide
Humulene oxide
alpha-Humulene oxide
Humulene I epoxide
Humulene epoxide I
Humulene monoxide
Humulene oxide I		 81.82
C00012465 (E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
gamma-Humulen-9-one		 81.82
C00012488 Buddledin C 81.82
C00012489 Buddledin D 81.82
C00012759 (+)-alpha-Cyperone
Eudesma-4,11-dien-3-one
(4aS-cis)-4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone		 81.82
C00015965 Cladospolide D 81.82
C00021923 Isoacanthodoral 81.82
C00022685 6-Hydroxy-7(9)-dehydro-6,7-dihydrogeranyl acetate 81.82
C00022687 6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate 81.82
C00022690 6-Peroxy-7(9)-dehydro-6,7-dihydroneryl acetate 81.82
C00031770 Erigerenone A 81.82
C00047454 Heteroplexisolide E
(+)-Heteroplexisolide E		 81.82
C00048855 Sinunorcaryophyllenol 81.82
C00042987 Scortechterpene B
(+)-Scortechterpene B		 81.08
C00010853 [1R-[1a(Z),6b]]-2-Methyl-3-methyl-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester 80.56
C00012497 Parvinolide
[3aS-(3aR*,6E,10aR*)]-3,3a,4,5,8,9,10,10a-Octahydro-2,2,6-trimethyl-10-methylene-2H-cyclonona[b]furan-2-one		 80.00
C00014941 (-)-EI 1941-3
EI 1941-3		 80.00
C00020109 10-Hydroxy-cadin-4-en-3-one 80.00
C00020137 (-)-1beta,10betaH-Cadin-4-ene-3alpha,10-diol 80.00
C00020139 1beta,10betaH-Cadin-4-ene-3beta,10-diol 80.00
C00022015 Ligucyperonol 80.00
C00022644 8-Oxo-beta-cyperone 80.00
C00028802 Parvistemoamide 80.00
C00033700 Carissone
(+)-Carissone		 80.00
C00043471 Drummondol 80.00
C00049304 Sootepdienone
(+)-Sootepdienone		 80.00
C00050285 Hydroxycolorenone 80.00
C00010790 Sarracenin 79.41
C00011465 Isodavanone
[2alpha(E),5alpha]-(+)-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-4-hepten-3-one		 79.41
C00011699 (-)-Puliglene
beta-Pulignene
Puliglene		 79.41
C00011701 [1S-(1R*,4S*,5E,7R*)]-4-Methyl-10-methylene-7-(1-methylethyl)-5-cyclodecene-1,4-diol 79.41
C00011712 [1R-(1R*,2E,4R*,7E)]-4-Hydroxy-alpha,alpha,4,8-tetramethyl-2,7-cyclodecadiene-1-methanol 79.41
C00012473 [1S-(1R*,2S*,5E,9S*)]- 6,10,10-Trimethyl-spiro[bicyclo[7.2.0]undec-5-ene-2,2'-oxirane]
3',15-Epoxy-6-caryophyllene		 79.41
C00016043 Pyrenocine E 79.41
C00031040 Piscrocin E
(-)-Piscrocin E		 79.41
C00035809 Annuionone F 79.41
C00036064 Buddledone B 79.41
C00040376 Stagonolide B
(+)-Stagonolide B		 79.41
C00044289 Putaminoxin D 79.41
C00044885 Litseagermacrane
(+)-Litseagermacrane		 79.41
C00046150 Millecrone B 79.41
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