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


and

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




INPUT WORD = C00040158 , 50% or more
[ Metabolite Name : RKB 3564S ]
Number of matched data : 90

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00002753 Isosafrole 92.00
C00002771 Safrole 92.00
C00010843 Macropone 91.67
C00010862 2,5-Dihydroxy-p-cymene
Hydrothymoquinone
Thymohydroquinone		 91.67
C00010876 Thymoquinone
p-Mentha-3,6-diene-2,5-dione		 91.67
C00032636 3,4-Dimethoxy-styrene
3,4-Dimethoxystyrene		 91.67
C00034453 Benzyl propionate 91.67
C00042126 3-Hydroxy-4-methoxyphenethylamine
p-Methoxydopamine		 91.67
C00000550 (R)-(-)-Mellein
Mellein
Ochracin		 88.89
C00031463 (4R)-4,8-Dihydroxy-alpha-tetralone 88.89
C00002741 Methyleugenol
4-Allylveratrole
Eugenol methyl ether		 88.46
C00002760 Methylisoeugenol
trans-Methyl isoeugenol		 88.46
C00035131 Methyl isoeugenol 88.46
C00039440 Isoferulaldehyde 88.46
C00000156 Carvacrol 87.50
C00000619 Eugenol 87.50
C00000620 Isoeugenol 87.50
C00002704 Paeonol 87.50
C00002740 Estragol
Methyl chavicol
Estragole
Esdragol		 87.50
C00003039 Cuminal
Cumin aldehyde
4-Isopropyl benzaldehyde
Cuminaldehyde
Cuminyl aldehyde
Cumaldehyde		 87.50
C00003062 beta-Thujaplicin 87.50
C00010858 4-Isopropenylbenzaldehyde 87.50
C00010906 Dehydrocarvacrol
5-Isopropenyl-2-methylphenol		 87.50
C00010908 3-Hydroxy-alpha,alpha,4-trimethylbenzyl alcohol 87.50
C00011009 beta-Dolabrin 87.50
C00029334 trans-Anethol
(E)-Anethol
trans-1-(4-Methoxyphenyl)-1-propene
trans-Anethole		 87.50
C00029478 3,4'-Dihydroxypropiophenone
4-Hydroxy-(3-hydroxypropionyl)benzene		 87.50
C00029535 4-Isopropyl-2-methylphenol
Isocarvacrol		 87.50
C00032695 Acetoisovanillone
Isoacetovanillone		 87.50
C00033557 CID is old! 87.50
C00033837 Ethylparaben 87.50
C00035095 E-Isoeugenol
trans-Isoeugenol		 87.50
C00035487 3,4-Dimethoxybenzyl alcohol 87.50
C00042023 1,2,3-Trimethoxybenzene 87.50
C00042859 p-Methoxyamphetamine 87.50
C00044988 p-(Acetylamino)benzyl alcohol 87.50
C00031466 (4S)-4,8-Dihydroxy-alpha-tetralone 85.19
C00000171 3-Acethyl-6-methoxybenzaldehyde 84.62
C00010909 5-(1-Methoxy-1-methylethyl)-2-methyl-phenol
NSC 379495		 84.62
C00016245 2'-Carbamoylacetanilide
2-(Acetylamino)benzamide
2-Acetamidobenzamide
NP 101A
o-Acetamidobenzamide		 84.62
C00033193 Methyl isovanillate 84.62
C00036143 Methyl orsellinate 84.62
C00037676 p-Propoxy benzoic acid 84.62
C00042105 3,4-Dimethoxyphenethylamine 84.62
C00043990 trans-Coniferyl alcohol 84.62
C00048195 Terricollene C 84.62
C00001964 Boschniakine 84.00
C00036575 4-Hydroxy-2H-1,4-benzoxazin-3(4H)-one 84.00
C00044485 7-Hydroxychromone 84.00
C00000486 6-Methylsalicylic acid
6MSA		 83.33
C00000487 Orsellinic acid
2,4-Dihydroxy-6-methylbenzoic acid
4,6-Dihydroxy-2-methylbenzoic acid
Orsellic acid		 83.33
C00001405 Cathine
D-Cathine		 83.33
C00001406 D-Cathinone 83.33
C00001409 L-Ephedrine
Ephedrine
1(R),2(S)-erythro-(-)-Ephedrine
(-)-Ephedrine		 83.33
C00002658 2-Hydroxymethylbenzoic acid 83.33
C00002689 3'-Methoxy-4'-hydroxyacetophenone
Acetovanillone
Apocynin		 83.33
C00002713 Anethole
(E)-Anethole		 83.33
C00003063 gamma-Thujaplicin 83.33
C00007309 Homogentisate
Homogentisic acid		 83.33
C00007310 Caffeyl alcohol 83.33
C00010340 3-Methyl-5-(2-methylpropyl)-2-furancarboxaldehyde 83.33
C00010864 Cymorcin 83.33
C00010866 3-Methoxy-p-cymene
Thymyl methyl ether
1-Isopropyl-2-methoxy-4-methylbenzene
2-Isopropyl-5-methylanisole
Thymol methyl ether
Methyl thymyl ether		 83.33
C00011011 2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
alpha-Thujaplicin		 83.33
C00029306 (+)-Rhododendrol 83.33
C00029502 3-Hydroxy-4-methoxybenzoic acid
Isovanillic acid		 83.33
C00030767 Methyl salicylate 83.33
C00031015 p-Hydroxyphenyl acetic acid methyl ester 83.33
C00031551 3-(3,4-Dihydroxyphenyl)-1-propanol 83.33
C00032013 Methyl p-formylbenzoate 83.33
C00032617 2,5-Dihydroxy-4-methylacetophenone 83.33
C00034769 4-Hydroxy-2-methoxybenzoic acid 83.33
C00035454 1,3,5-Trimethoxybenzene 83.33
C00035489 3,4-Dimethoxyphenol 83.33
C00035535 Benzyl acetate 83.33
C00035903 cis-Isoeugenol
Z-Isoeugenol		 83.33
C00035931 3-Bromo-4-methoxyphenylacetonitrile 83.33
C00036463 2,5-Dimethoxy-p-benzoquinone 83.33
C00042101 3,4,5-Trihydroxyphenethylamine 83.33
C00042132 3-Methoxytyramine 83.33
C00042777 N-Methyldopamine 83.33
C00043206 5-(4-Pentenyl)-2-furaldehyde 83.33
C00043215 5-Pentyl-2-furaldehyde 83.33
C00044457 4-Allyl-pyrocatechol
4-Allylcatechol		 83.33
C00044524 Annularin E 83.33
C00044826 Isovanillin 83.33
C00046051 CID is old! 83.33
C00047056 CID is old! 83.33
C00047668 CID is old! 83.33
C00049046 CID is old! 83.33
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