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


and

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




INPUT WORD = C00045543 , 50% or more
[ Metabolite Name : 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione ]
Number of matched data : 91

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00035002 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
4-Ketoisophorone		 91.67
C00010993 (+)-5-Hydroxy-4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde 87.50
C00016850 Xanthofusin 87.50
C00018689 Terreic acid
(-)-Terreic acid		 87.50
C00032859 Crocusatin A
S-Phorenol		 87.50
C00037524 Multiflotriol 84.62
C00043190 3-Formyl-6-hydroxy-2,4,4-trimethyl-2,5-cyclohexadien-1-one
4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-diene-1-carboxaldehyde		 84.62
C00043412 Crocusatin I 84.62
C00011036 [1S-[1alpha,5alpha(7R*)]]-7-hydroxy-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-one 84.00
C00000826 (+)-Pinocarvone 83.33
C00003053 alpha-Pinocarvone
(+-)-Pinocarvone		 83.33
C00003067 (R)-(+)-Verbenone
Verbenone		 83.33
C00010316 Elsholtzione 83.33
C00010536 Dehydroiridodiol 83.33
C00010846 2-Hydroxy-p-mentha-1,4(8)-dien-3-one 83.33
C00010854 8-Hydroxy-p-menth-6-en-2-one
8-Hydroxycarvotanacetone
HCA 168		 83.33
C00010981 Ferulol 83.33
C00011043 (-)-Pinocarvone 83.33
C00011049 Car-3-en-5-one 83.33
C00030540 alpha-Isophorone
Isophorone		 83.33
C00030934 p-Cymene-2,3-diol 83.33
C00031537 2,6,6-Trimethyl-4-hydroxy-1-cyclohexene-1-carboxaldehyde 83.33
C00032861 Crocusatin C
(-)-Crocusatin C		 83.33
C00037652 Pinocarvone 83.33
C00010361 4-Hydroxy-6-isopropyl-3,5-dimethyl-2H-pyran-2-one 80.77
C00036363 1,1,5-Trimethyl-2-formyl-6-methoxy-[2,4]-cyclohexadiene 80.77
C00039484 Jasminodiol
(-)-Jasminodiol		 80.77
C00043413 Crocusatin J
(+)-Crocusatin J		 80.77
C00043415 Crocusatin L
(+)-Crocusatin L		 80.77
C00003085 Iridodial
(+)-Iridodial		 80.00
C00003091 cis-trans-Nepetalactone 80.00
C00003092 trans-cis-Nepetalactone 80.00
C00010617 Boonein 80.00
C00010638 trans,trans-Nepetalactone 80.00
C00010639 cis,cis-Nepetalactone 80.00
C00010640 (-)-cis,trans-Nepetalactone 80.00
C00010949 (-)-Mintlactone 80.00
C00010950 (+)-Isomintlactone 80.00
C00010987 Filifolide A 80.00
C00010988 Filifolide B 80.00
C00011034 (1alpha,4beta,5alpha)-4-Hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-methanol 80.00
C00011050 (+-)-Asarinol A 80.00
C00035029 7-Hydroxymyrtenal
(-)-7-Hydroxymyrtenal		 80.00
C00035030 7-Hydroxymyrtenol
(+)-7-Hydroxymyrtenol		 80.00
C00037323 Isoboonein
(+)-Isoboonein		 80.00
C00000808 (-)-Isopinocamphone 79.17
C00000812 (-)-Myrtenol 79.17
C00000813 (-)-Pinocamphone 79.17
C00000863 R-(+)-trans-Verbenol 79.17
C00003042 Diosphenol
Buccocamphor		 79.17
C00007380 L-Dehydroascorbate 79.17
C00010290 2,6-Dimethyl-1,7-octadiene-3,6-diol 79.17
C00010297 3,7-Dimethyl-2,7-octadiene-1,6-diol 79.17
C00010317 Dehydroelshotzione 79.17
C00010318 2,3-Epoxy-2,6-dimethyl-5,7-octadien-4-ol 79.17
C00010340 3-Methyl-5-(2-methylpropyl)-2-furancarboxaldehyde 79.17
C00010351 5-(1,1-Dimethyl-2-propenyl)-3-methyl-2(4H)-furanone 79.17
C00010359 5-Ethylidene-5,6-dihydro-3,6,6-trimethyl-2-pyranone 79.17
C00010366 5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol 79.17
C00010386 1-(3,3-Dimethyloxiranyl)-2,2-dimethyl-3-buten-1-one-epoxyartemisia ketone 79.17
C00010443 1,4-Ochtodiene-3,6-diol
1-ethenyl-5,5-dimethyl-2-cyclohexene-1,4-diol		 79.17
C00010804 alpha-Campholenol
Trimenol
Campholenic alcohol		 79.17
C00010805 alpha-Campholenic aldehyde
Campholenic aldehyde		 79.17
C00010851 Pseudodiosphenol 79.17
C00010864 Cymorcin 79.17
C00010892 trans-p-Menthane-1,4-diol 79.17
C00010916 1-Hydroxy-4-(1-methylethyl)-2-cyclohexene-1-methanol 79.17
C00010917 1-Methyl-4-(1-methylethyl)-3-cyclohexene-1,2-diol 79.17
C00010924 8,9-p-Menthen-1,2-diol
8-p-Menthene-1,2-diol
Limonene glycol
d-Limonene-1,2-diol
p-Menth-8-ene-1,2-diol		 79.17
C00010998 beta-Cyclolavandulal
2,4,4-Trimethyl-1-cyclohexene-1-carboxyaldehyde		 79.17
C00011004 4,4-Dimethyl-2,5-cycloheptadienecarboxylic acid 79.17
C00011041 (+)-Myrtenol
Darwinol		 79.17
C00011048 Car-3-en-2-one
(-)-Car-3-en-2-one		 79.17
C00016057 Pulchellalactam
Z-Pulchellalactam
(Z)-Pulchellalactam		 79.17
C00022009 Sobrerol 79.17
C00024001 Isopatulin 79.17
C00029355 CID is old! 79.17
C00029977 cis-Verbenol 79.17
C00032863 beta-Isophorone
Crocusatin E
beta-Phorone		 79.17
C00035001 2,6,6-Trimethyl 1,4-cyclohexanedione
2,6,6-Trimethyl-1,4-cyclohexanedione		 79.17
C00035737 Safranal 79.17
C00036397 10-Deoxyeucommiol 79.17
C00037338 cis-Pinocamphone
cis-3-Pinanone
Isopinocamphone		 79.17
C00037531 Myrtenol 79.17
C00038035 Zanthopyranone 79.17
C00041256 1S,2S,4R-Limonene-1,2-diol
(+)-1S,2S,4R-Limonene-1,2-diol		 79.17
C00042278 beta-Cyclocitral 79.17
C00043204 4-Hydroxy-3,5,5-trimethylcyclohex-2-enone 79.17
C00044524 Annularin E 79.17
C00045466 (-)-Blastmycinolactol 79.17
C00048312 alpha-Campholenal
(+)-alpha-Campholenal		 79.17
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