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


and

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




INPUT WORD = C00030540 , 50% or more
[ Metabolite Name : alpha-Isophorone , Isophorone ]
Number of matched data : 60

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00032863 beta-Isophorone
Crocusatin E
beta-Phorone		 95.00
C00035002 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
4-Ketoisophorone		 90.91
C00032859 Crocusatin A
S-Phorenol		 86.36
C00045543 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione 83.33
C00003067 (R)-(+)-Verbenone
Verbenone		 82.61
C00011049 Car-3-en-5-one 82.61
C00000155 m-Thymol
Thymol		 81.82
C00000809 (-)-Isopiperitenone 81.82
C00003054 Piperitone
p-Menth-1-en-3-one
(+)-Piperitone		 81.82
C00010282 alpha-Clausenan 81.82
C00010466 Chrysanthemol
Chrysanthemyl alcohol		 81.82
C00010890 (+)-Isopiperitenone
p-Mentha-1,8-dien-3-one		 81.82
C00010925 (3S,4S)-(-)-p-Menth-1-en-3-ol
trans-(-)-Piperitol		 81.82
C00010926 (3R,4R)-Piperitol
(+)-trans-Piperitol		 81.82
C00010941 (-)-Piperitone 81.82
C00010942 (+-)-p-Menth-6-en-3-one 81.82
C00010998 beta-Cyclolavandulal
2,4,4-Trimethyl-1-cyclohexene-1-carboxyaldehyde		 81.82
C00031068 alpha-Phellandren-8-ol
p-Mentha-1,5-dien-8-ol		 81.82
C00035737 Safranal 81.82
C00011058 (-)-alpha-Fenchene
Fenchene
(-)-7,7-dimethyl-2-methylenenorbornane
alpha-Fenchene		 80.95
C00034575 Lavandulol 80.95
C00002046 Hygrine
(+)-Hygrine
D-(+)-Hygrine		 80.00
C00010471 Adoxosidic acid 80.00
C00010807 2-Isopropylcyclopentanone 80.00
C00010860 (R)-(-)-Cryptone 80.00
C00010967 beta-Cymene
m-Cymene
1-Methyl-3-(1-methylethyl)benzene
1-Isopropyl-3-methylbenzene		 80.00
C00010975 (R)-o-Mentha-1(7),5,8-triene 80.00
C00011008 4,4-Dimethyl-2-cyclohepten-1-one 80.00
C00024009 Erinapyrone B
(2R)-2,3-Dihydro-2-hydroxymethyl-6-methyl-4H-pyran-4-one		 80.00
C00035132 m-Mentha-6,8-diene 80.00
C00010340 3-Methyl-5-(2-methylpropyl)-2-furancarboxaldehyde 79.17
C00010442 (5R,6R)-1,3(8)-Ochtodiene-5,6-diol 79.17
C00031537 2,6,6-Trimethyl-4-hydroxy-1-cyclohexene-1-carboxaldehyde 79.17
C00032861 Crocusatin C
(-)-Crocusatin C		 79.17
C00000863 R-(+)-trans-Verbenol 78.26
C00003032 Chrysanthenone 78.26
C00003066 (+-)-Umbellulone 78.26
C00011048 Car-3-en-2-one
(-)-Car-3-en-2-one		 78.26
C00029977 cis-Verbenol 78.26
C00036273 (-)-Chrysanthenone 78.26
C00000815 (-)-trans-Isopiperitenol 77.27
C00010357 1,2-Epoxy-2,5-dimethyl-3-vinyl-4-hexene 77.27
C00010467 Grandisol 77.27
C00010468 Fragranol 77.27
C00010802 4-Isopropenyl-1-cyclopenten-1-yl methyl ketone
1-Acetyl-4-isopropenylcyclopentene		 77.27
C00010804 alpha-Campholenol
Trimenol
Campholenic alcohol		 77.27
C00010805 alpha-Campholenic aldehyde
Campholenic aldehyde		 77.27
C00010889 Piperitenone
p-Mentha-1,4(8)-dien-3-one
Pulespenone
3-Terpinolenone		 77.27
C00010928 Origanol
(S)-(+)-p-Menth-1-en-4-ol		 77.27
C00010929 1-Terpinen-5-ol 77.27
C00010930 delta-Terpineol
p-Menth-1(7)-en-8-ol		 77.27
C00010931 (R)-(+)-alpha-Terpineol
(R)-(+)-p-Menth-1-en-8-ol		 77.27
C00029544 4-Terpineol
Terpin-1-en-4-ol
Terpinen-4-ol
Terpin-4-ol
Terpineol-4
4-Methyl-1-(1-methylethyl)-3-cyclohexene-1-ol		 77.27
C00029674 alpha-Terpineol 77.27
C00029971 cis-Carveol 77.27
C00030933 p-Cymen-8-ol 77.27
C00034465 cis-Chrysanthemol
cis-Chrysanthemyl alcohol		 77.27
C00034726 trans-Chrysanthemyl alcohol 77.27
C00035001 2,6,6-Trimethyl 1,4-cyclohexanedione
2,6,6-Trimethyl-1,4-cyclohexanedione		 77.27
C00043204 4-Hydroxy-3,5,5-trimethylcyclohex-2-enone 77.27
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