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


and

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




INPUT WORD = C00002498 , 50% or more
[ Metabolite Name : Aesculetin dimethyl ether , 6,7-Dimethoxycoumarin , Scoparone ]
Number of matched data : 54

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00019920 6-Hydroxymethylherniarin 96.77
C00019969 Murrayacarpin A 96.77
C00037597 Paniculal 96.77
C00019875 Fraxidin 93.94
C00000578 Ayapin 93.55
C00002473 Fraxetin 93.55
C00002499 Scopoletin 93.55
C00039442 Isofraxetin 93.55
C00039452 Isoscopoletin 93.55
C00042149 5,7-Dimethoxychromone 93.55
C00042174 7-Hydroxy-4-methoxy-5-methylcoumarin
7-hydroxy-4-methoxy-5-methyl-2H-1-Benzopyran-2-one		 93.55
C00045002 Phellodenol B 93.55
C00002479 Leptodactylone 90.91
C00019318 Fraxinol
5,7-Dimethoxy-6-hydroxycoumarin		 90.91
C00019803 Buntansin 90.91
C00019944 Kiyomal 90.91
C00030527 Isofraxidin 90.91
C00038274 4,6-Dimethoxy-5-methylcoumarin 90.91
C00040304 Siderin 90.91
C00044478 7,8-Dimethoxy-6-hydroxycoumarin 90.91
C00050406 Umckalin 90.91
C00000581 Bergaptol
5-Hydroxypsoralen		 90.63
C00019843 6,8-Dihydroxy-7-methoxycoumarin 90.32
C00019872 6-Formylumbelliferone 90.32
C00026423 Edulitine
Robustinin
Robustinine		 90.32
C00030982 Phellodenol A 90.32
C00045589 7-Hydroxy-8-methoxycoumarin
Hydrangetin		 90.32
C00002501 5,6,7-Trimethoxycoumarin 88.57
C00032667 6,7,8-Trimethoxy-2H-1-benzopyran-2-one
6,7,8-Trimethoxycoumarin		 88.57
C00000575 5-Methoxypsoralen
Bergaptan
Bergapten		 88.24
C00000576 Xanthotoxin
8-Methoxypsoralen		 88.24
C00019958 5-Methoxy-6,7-methylenedioxycoumarin 88.24
C00019963 6,7-Methylenedioxy-8-methoxycoumarin 88.24
C00037321 Isobergapten 88.24
C00002440 Ageratochromene
Precocene 2		 87.88
C00029450 2-Acetyl-5,6-dimethoxybenzofuran
Caleprunin B
Eupatarone		 87.88
C00031268 Saikochromone A 87.88
C00031439 Yunngnin B 87.88
C00000582 Xanthotoxol
8-Hydroxyanthotoxol		 87.50
C00000297 Ficusin
Psoralen		 87.10
C00000736 1,4-Dihydroxy-2-naphthoic acid 87.10
C00002450 Angelicin 87.10
C00002471 Aesculetin
Esculetin
6,7-Dihydroxycoumarin		 87.10
C00002476 Herniarin
7-Methoxycoumarin		 87.10
C00002715 beta-Asarone 87.10
C00020026 Setarin 87.10
C00020030 6,7,8-Trihydroxycoumarin 87.10
C00026442 Integriquinolone 87.10
C00030226 Eugenin 87.10
C00032011 Methyl cis-ferulate 87.10
C00033558 3,4-Dimethoxy-trans-cinnamic acid
E)-3,4-Dimethoxycinnamic acid		 87.10
C00035226 4',5'-Dihydropsoralen 87.10
C00039097 Ekersenin
Pereflorin		 87.10
C00043194 3-Methoxyjuglone
5-Hydroxy-3-methoxy-1,4-naphthoquinone		 87.10
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