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


and

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




INPUT WORD = C00035002 , 50% or more
[ Metabolite Name : 4-Ketoisophorone , 2,6,6-Trimethyl-2-cyclohexene-1,4-dione ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00032859 Crocusatin A
S-Phorenol		 95.45
C00045543 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione 91.67
C00030540 Isophorone 90.91
C00003067 (R)-(+)-Verbenone
Verbenone		 86.96
C00011049 Car-3-en-5-one 86.96
C00032863 beta-Isophorone
Crocusatin E
.beta-Isophorone
beta-Phorone		 86.36
C00034030 Leptosphaerone C
(-)-Leptosphaerone C		 86.36
C00035001 2,6,6-Trimethyl 1,4-cyclohexanedione 86.36
C00035737 Safranal 86.36
C00042278 beta-Cyclocitral 86.36
C00043204 4-Hydroxy-3,5,5-trimethylcyclohex-2-enone 86.36
C00010340 3-Methyl-5-(2-methylpropyl)-2-furancarboxaldehyde 83.33
C00010442 (5R,6R)-1,3(8)-Ochtodiene-5,6-diol 83.33
C00010862 2,5-Dihydroxy-p-cymene
Hydrothymoquinone		 83.33
C00010876 Thymoquinone
p-Mentha-3,6-diene-2,5-dione		 83.33
C00010993 (+)-5-Hydroxy-4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde 83.33
C00031537 2,6,6-Trimethyl-4-hydroxy-1-cyclohexene-1-carboxaldehyde 83.33
C00032861 Crocusatin C
(-)-Crocusatin C		 83.33
C00000863 R-(+)-trans-Verbenol 82.61
C00011048 Car-3-en-2-one
(-)-Car-3-en-2-one		 82.61
C00011063 (-)-Filifolone 82.61
C00029977 cis-Verbenol 82.61
C00038525 Aspinotriol A
(-)-Aspinotriol A		 82.61
C00000805 (+)-alpha-Pinene
alpha-Pinene		 81.82
C00000839 3-Carene 81.82
C00010336 Rosefuran
3-Methyl-2-(3-methyl-2-butenyl)furan		 81.82
C00010466 Chrysanthemol
Chrysanthemyl alcohol		 81.82
C00010467 Grandisol 81.82
C00010468 Fragranol 81.82
C00010802 4-Isopropenyl-1-cyclopenten-1-yl methyl ketone
1-Acetyl-4-isopropenylcyclopentene		 81.82
C00010906 Dehydrocarvacrol
5-Isopropenyl-2-methylphenol		 81.82
C00010998 beta-Cyclolavandulal
2,4,4-Trimethyl-1-cyclohexene-1-carboxyaldehyde		 81.82
C00011044 (+)-Carene
(+)-3-carene		 81.82
C00011045 (-)-Carene(-)-3-Carene
delta-3-Carene		 81.82
C00032638 3,5-Dimethyl-4-hydroxy benzaldehyde
4-Hydroxy-3,5-dimethylbenzaldehyde		 81.82
C00034465 cis-Chrysanthemyl alcohol 81.82
C00034575 Lavandulol 81.82
C00034726 trans-Chrysanthemyl alcohol 81.82
C00034999 1R,5R-(+)-alpha-Pinene
1R-alpha-Pinene
(+)-(1R)-alpha-Pinene		 81.82
C00035786 1S,5S-(-)-alpha-Pinene 81.82
C00035894 Verbenene 81.82
C00000841 6-Oxocamphor 80.00
C00010988 Filifolide B 80.00
C00011050 (+-)-Asarinol A 80.00
C00010316 Elsholtzione 79.17
C00010852 (S)-6-Hydroxy-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-one 79.17
C00010854 8-Hydroxy-p-menth-6-en-2-one
8-Hydroxycarvotanacetone
HCA 168		 79.17
C00010981 Ferulol 79.17
C00016850 Xanthofusin 79.17
C00030934 p-Cymene-2,3-diol 79.17
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