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


and

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




INPUT WORD = C00002471 , 50% or more
[ Metabolite Name : Aesculetin , Esculetin , 6,7-Dihydroxycoumarin ]
Number of matched data : 53

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00002462 Daphnetin 96.30
C00002499 Scopoletin 93.10
C00020030 6,7,8-Trihydroxycoumarin 93.10
C00039452 Isoscopoletin 93.10
C00002476 Herniarin
7-Methoxycoumarin		 92.59
C00002503 Umbelliferone
7-Hydroxycoumarin
Umbelliferon		 92.59
C00029555 5,7-Dihydroxycoumarin 92.59
C00000578 Ayapin 90.00
C00045589 7-Hydroxy-8-methoxycoumarin
Hydrangetin		 89.66
C00002422 5,7-Dihydroxychromone
5,7-Dihydroxy-4-chromone		 88.89
C00002837 Lawsone 88.89
C00019143 3-Hydroxycoumarin
3-Coumarinol		 88.89
C00002473 Fraxetin 87.10
C00002498 Aesculetin dimethyl ether
6,7-Dimethoxycoumarin
Scoparone		 87.10
C00019843 6,8-Dihydroxy-7-methoxycoumarin 87.10
C00039442 Isofraxetin 87.10
C00019872 6-Formylumbelliferone 86.21
C00036496 2-Hydroxyjuglone 86.21
C00049089 3-Hydroxyjuglone 86.21
C00002743 Ferulic acid
3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid
Ferulate		 85.71
C00002759 Methyl caffeate 85.71
C00000144 5-Hydroxy-1,4-naphthoquinone
juglone
Juglone		 85.19
C00000553 5-Hydroxy-2-methylchromone 85.19
C00000615 Caffeic acid 85.19
C00002460 Coumarin 85.19
C00002735 Dihydrocaffeic acid
3,4-Dihydroxyhydrocinnamic acid		 85.19
C00015976 Cordytropolone 85.19
C00026586 Isalexin 85.19
C00029577 6-Methoxy-2H-1-benzopyran
6-Methoxybenzopyran		 85.19
C00036577 4-Hydroxy-3,5-dimethoxybenzyl alcohol 85.19
C00038282 5,7-Dihydroxy-4-methylphthalide 85.19
C00044485 7-Hydroxychromone 85.19
C00045576 5-Hydroxycoumarin 85.19
C00048593 7-Amino-4-methylcoumarin 85.19
C00019920 6-Hydroxymethylherniarin 83.87
C00030982 Phellodenol A 83.87
C00045002 Phellodenol B 83.87
C00000297 Ficusin
Psoralen		 83.33
C00002450 Angelicin 83.33
C00035226 4',5'-Dihydropsoralen 83.33
C00002784 Acamelin 82.76
C00002802 Chimaphilin 82.76
C00015909 FR 198248 82.76
C00038203 2,5-Dimethyl-7-hydroxychromone 82.76
C00042153 5-Hydroxy-7-methoxychromone 82.76
C00049940 2-Methoxy-1,4-naphthoquinone 82.76
C00001357 Dihydroxyphenylalanine
L-Dopa
L-DOPA
DOPA
Levodopa		 82.14
C00002752 Isoferulic acid 82.14
C00031720 Danshensu
3,4-Dihydroxyphenyllactic acid		 82.14
C00034325 (E)-Ferulic acid
E-Ferulic acid
trans-Ferulic acid
4-Hydroxy-3-methoxy-(E)-cinnamic acid		 82.14
C00035948 4-Ethoxy-3-methoxybenzoic acid 82.14
C00040202 Salvianic acid A
(+)-Salvianic acid A		 82.14
C00040946 Dihydroferulic acid 82.14
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