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


and

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





INPUT WORD = C00048139 , 50% or more
[ Metabolite Name : Speciosin G ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00010862 2,5-Dihydroxy-p-cymene
Hydrothymoquinone
95.83
C00010876 Thymoquinone
p-Mentha-3,6-diene-2,5-dione
95.83
C00010843 Macropone 91.67
C00010864 Cymorcin 91.67
C00030934 p-Cymene-2,3-diol 91.67
C00037524 Multiflotriol 88.46
C00007309 Homogentisate
Homogentisic acid
87.50
C00007310 Caffeyl alcohol 87.50
C00029535 4-Isopropyl-2-methylphenol
Isocarvacrol
87.50
C00031551 3-(3,4-Dihydroxyphenyl)-1-propanol 87.50
C00042777 N-Methyldopamine 87.50
C00002853 Prenylbenzoquinone 84.62
C00017751 Antibiotic MH 435A
Erbstatin
MH 435A
84.62
C00018324 Siccayne 84.62
C00000258 2,6-Dimethoxy-1,4-benzoquinone
2,6-Dimethoxy-p-benzoquinone
83.33
C00000619 Eugenol 83.33
C00000620 Isoeugenol 83.33
C00002729 o-Coumaric acid
O-coumaric acid
83.33
C00002756 Melilotic acid 83.33
C00003062 beta-Thujaplicin 83.33
C00003063 gamma-Thujaplicin 83.33
C00007511 Caffeoyl aldehyde
Caffeic aldehyde
3,4-Dihydroxycinnamaldehyde
Caffeylaldehyde
83.33
C00010968 2-Isopropyl-p-cresol
4-Methyl-2-isopropylphenol
83.33
C00011009 beta-Dolabrin 83.33
C00011011 2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
alpha-Thujaplicin
83.33
C00031015 p-Hydroxyphenyl acetic acid methyl ester 83.33
C00031535 2,3-Dimethoxy-1,4-benzoquinone 83.33
C00032695 Acetoisovanillone
Isoacetovanillone
83.33
C00035095 E-Isoeugenol 83.33
C00035789 2,6-Dimethoxyhydroquinone 83.33
C00036463 2,5-Dimethoxy-p-benzoquinone 83.33
C00040996 3,4-Dihydroxybenzeneacetic acid
Homoprotocatechuic acid
83.33
C00044457 4-Allyl-pyrocatechol
4-Allylcatechol
83.33
C00047668 CID is old! 83.33
C00015409 (E)-2-(3-hydroxy-3-methyl-1-butenyl)-1,4-benzenediol
F 11334B1
82.14
C00000615 Caffeic acid 80.77
C00002735 Dihydrocaffeic acid
3,4-Dihydroxyhydrocinnamic acid
80.77
C00011010 alpha-Dolabrinol 80.77
C00019469 4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol 80.77
C00029643 Adrenaline
Adrenalin
80.77
C00032950 Ethyl 3,4-dihydroxybenzoate
Ethyl protocatechuate
Ethyl 3,4-Dihydroxybenzoate
80.77
C00039440 Isoferulaldehyde 80.77
C00042758 N,N-Dimethyldopamine 80.77
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
80.77
C00048195 Terricollene C 80.77
C00002753 Isosafrole 80.00
C00002771 Safrole 80.00
C00029577 6-Methoxy-2H-1-benzopyran
6-Methoxybenzopyran
80.00
C00041284 5-Hydroxyindole-3-carbaldehyde 80.00
C00015408 F 11334A3 79.31
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