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


and

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




INPUT WORD = C00013264 , 50% or more
[ Metabolite Name : Apocynin C , (2R,3R,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one ]
Number of matched data : 60

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00013263 Apocynin A
(2R,3S,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one		 98.61
C00002913 Cinchonain Ia 95.83
C00008906 Epigallocatechin 3-O-caffeate 95.83
C00008963 9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one 95.83
C00008964 Cinchonain Ib 95.83
C00008905 Epigallocatechin 3-O-p-coumarate 93.06
C00008962 9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one 93.06
C00008966 Cinchonain Id 93.06
C00008899 Phylloflavan 92.00
C00008884 Epigallocatechin 3-O-(3,5-di-O-methylgallate) 91.78
C00008904 Epigallocatechin 3-O-cinnamate 91.67
C00008965 Cinchonain Ic 91.67
C00038713 Catiguanin A
(-)-Catiguanin A		 90.54
C00038714 Catiguanin B
(-)-Catiguanin B		 90.54
C00008882 Gallocatechin 3-O-gallate
Gallocatechin gallate		 90.28
C00008885 Epigallocatechin 7-O-gallate 90.28
C00000958 epi-Gallocatechin 3-O-gallate
Epigallocatechin gallate
(-)-Epigallocatechin gallate
(2R-cis)-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester 3,4,5-trihydroxybenzoic acid		 88.89
C00008866 (-)-Epicatechin 3-O-gallate
(-)-Epicatechin gallate		 88.89
C00008870 Epicatechin 3-O-(4-O-methylgallate) 88.89
C00008871 Catechin 5-O-gallate 88.89
C00008872 Catechin 7-O-gallate 88.89
C00008894 Robinetinidol 3-O-gallate 88.89
C00008903 Epigallocatechin 3-O-vanillate 88.89
C00049013 Shanciol A
(+)-Shanciol A		 88.89
C00008865 Catechin 3-O-gallate 87.50
C00008868 ent-Epicatechin 3-O-gallate 87.50
C00008869 Epicatechin 3-O-(3-O-methylgallate) 87.50
C00008883 Epigallocatechin 3-O-(3-O-methylgallate) 87.50
C00008895 ent-Robinetinidol 3-O-gallate 87.50
C00008902 Epigallocatechin 3-O-(4-hydroxybenzoate) 87.50
C00030414 Gnetumontanin C 87.50
C00036853 Cadensin C 86.49
C00005078 Calomelanol D
(-)-9,10-Dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-10-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4,8-dione		 86.11
C00006061 Kaempferol 3-p-coumarate 86.11
C00007164 8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin 86.11
C00008867 ent-Catechin 3-O-gallate 86.11
C00013265 Shanciol
trans-(-)-3,4,5,6-Tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-11-methoxy-2H-phenanthro[2,1-b]pyran-3,8-diol		 86.11
C00014281 Calomelanol G
3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione		 86.11
C00036855 Cadensin G 86.11
C00037324 Isocadensin D 86.11
C00043114 Vittarin F
(-)-Vittarin F		 86.11
C00049014 Shanciol B
(+)-Shanciol B		 86.11
C00037316 Isoamericanol C1 85.53
C00037317 Isoamericanol C2 85.53
C00008893 Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate 85.33
C00039393 Hyperielliptone HC 85.14
C00040306 Silychristin B
(+)-Silychristin B		 85.14
C00005037 Haplopappin A 84.72
C00007163 8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin 84.72
C00007968 Calomelanol A 84.72
C00008898 Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate) 84.72
C00014282 Calomelanol H
3,4,7,8-Tetrahydro-5-hydroxy-8-(4-hydroxyphenyl)-4-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione		 84.72
C00014283 Calomelanol I
3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione		 84.72
C00014864 Rosacyanin B
11-(3,4-Dihydroxyphenyl)-4,5,8-trihydroxy-2-oxo-2H-1,6-dioxa-10-oxoniabenzo[cd]pyrene		 84.72
C00015773 Gnetifolin F 84.72
C00036594 5'-Demethoxycadensin G 84.72
C00036851 Cadensin A 84.72
C00038677 Cadensin D 84.72
C00041599 Inoscavin B
(-)-Inoscavin B		 84.72
C00048548 Subalatin
(+)-Subalatin		 84.72
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