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


and

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





INPUT WORD = C00010876 , 50% or more
[ Metabolite Name : Thymoquinone , p-Mentha-3,6-diene-2,5-dione ]
Number of matched data : 74

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00010862 2,5-Dihydroxy-p-cymene
Hydrothymoquinone
Thymohydroquinone
100.00
C00010908 3-Hydroxy-alpha,alpha,4-trimethylbenzyl alcohol 95.83
C00030934 p-Cymene-2,3-diol 95.83
C00032617 2,5-Dihydroxy-4-methylacetophenone 95.83
C00048139 Speciosin G 95.83
C00037524 Multiflotriol 92.31
C00010813 (+)-2,3-Dihydro-6-methyl-3-methylene-2-benzofuranol 92.00
C00000155 m-Thymol
Thymol
91.67
C00000156 Carvacrol 91.67
C00010843 Macropone 91.67
C00010864 Cymorcin 91.67
C00010866 3-Methoxy-p-cymene
Thymyl methyl ether
1-Isopropyl-2-methoxy-4-methylbenzene
2-Isopropyl-5-methylanisole
Thymol methyl ether
Methyl thymyl ether
91.67
C00010906 Dehydrocarvacrol
5-Isopropenyl-2-methylphenol
91.67
C00040158 RKB 3564S 91.67
C00010857 2-(2Hydroxy-4-methylphenyl)-1,3-propanediol
9,10-Dihydroxythymol
88.46
C00010909 5-(1-Methoxy-1-methylethyl)-2-methyl-phenol
NSC 379495
88.46
C00010910 Eupatriol 88.46
C00002689 3'-Methoxy-4'-hydroxyacetophenone
Acetovanillone
Apocynin
87.50
C00003062 beta-Thujaplicin 87.50
C00003063 gamma-Thujaplicin 87.50
C00010340 3-Methyl-5-(2-methylpropyl)-2-furancarboxaldehyde 87.50
C00010968 2-Isopropyl-p-cresol
4-Methyl-2-isopropylphenol
87.50
C00011009 beta-Dolabrin 87.50
C00011011 2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
alpha-Thujaplicin
87.50
C00017066 4-Methoxy-2,5-toluquinone
5-Methoxy-p-toluquinone
Coprinin
NSC 3071
87.50
C00029535 4-Isopropyl-2-methylphenol
Isocarvacrol
87.50
C00037604 p-Cymen-9-ol 87.50
C00042777 N-Methyldopamine 87.50
C00010863 Thymohydroquinone dimethyl ether
Thymoquinol dimethyl ether
4-Hydroxythymol dimethyl ether
85.71
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
C00002753 Isosafrole 84.00
C00002771 Safrole 84.00
C00000258 2,6-Dimethoxy-1,4-benzoquinone
2,6-Dimethoxy-p-benzoquinone
83.33
C00000619 Eugenol 83.33
C00000620 Isoeugenol 83.33
C00001417 Hordenine
Anhalin
Anhaline
Cactine
83.33
C00001424 Noradrenaline
L-Noradrenaline
Norepinephrine
(-)-Norepinephrine
83.33
C00002648 Gentisic acid
2,5-Dihydroxybenzoic acid
83.33
C00002704 Paeonol 83.33
C00002713 Anethole
(E)-Anethole
83.33
C00002740 Estragol
Methyl chavicol
Estragole
Esdragol
83.33
C00003040 p-Cymene
4-Cymene
83.33
C00003060 alpha-Terpinene 83.33
C00003061 gamma-Terpinene
1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene
83.33
C00007310 Caffeyl alcohol 83.33
C00007511 Caffeoyl aldehyde
Caffeic aldehyde
3,4-Dihydroxycinnamaldehyde
Caffeylaldehyde
83.33
C00010283 Cleviolide 83.33
C00010316 Elsholtzione 83.33
C00010328 Isoegomaketone 83.33
C00010342 4-(4-Methyl-1,3-pentadienyl)-2(5H)-furanone
Scobinolide
83.33
C00010444 (E)-2,4-Ochtodiene-1,6-diol 83.33
C00010445 (Z)-2,4-Ochtodiene-1,6-diol 83.33
C00010849 (4S-trans)-4-Hydroxy-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-one 83.33
C00010850 (4S-cis)-4-Hydroxy-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-one 83.33
C00010905 4-Isopropenyl-1-methylbenzene
alpha,4-Dimethylstyrene
p-Cymenene
p-Isopropenyltoluene
p-Isopropenyl toluene
Dehydro-p-cymene
83.33
C00010907 p-Mentha-1,3,8-triene
1,3,8-p-Menthatriene
83.33
C00010918 (1R-trans)-1-Methyl-4-(1-methylethyl)-4-cyclohexene-1,2-diol 83.33
C00010981 Ferulol 83.33
C00010993 (+)-5-Hydroxy-4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde 83.33
C00029334 trans-Anethol
(E)-Anethol
trans-1-(4-Methoxyphenyl)-1-propene
trans-Anethole
83.33
C00030933 p-Cymen-8-ol 83.33
C00031551 3-(3,4-Dihydroxyphenyl)-1-propanol 83.33
C00032695 Acetoisovanillone
Isoacetovanillone
83.33
C00033340 Resacetophenone 83.33
C00035002 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
4-Ketoisophorone
83.33
C00035095 E-Isoeugenol
trans-Isoeugenol
83.33
C00035789 2,6-Dimethoxyhydroquinone 83.33
C00036463 2,5-Dimethoxy-p-benzoquinone 83.33
C00040791 2,4-Dichloro-5-methoxy-3-methylphenol 83.33
C00042101 3,4,5-Trihydroxyphenethylamine 83.33
C00044431 2-Hydroxy-5-methoxybenzaldehyde 83.33
C00044457 4-Allyl-pyrocatechol
4-Allylcatechol
83.33
C00047668 CID is old! 83.33
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