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


and

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





INPUT WORD = C00013543 , 50% or more
[ Metabolite Name : Thymusin 6-isobutyrate , 5,6,4'-Trihydroxy-7,8-dimethoxy flavone 6-isobutyrate , 5-Hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4-oxo-4H-1-benzopyran-6-yl ester 2-methyl-propanoic acid ]
Number of matched data : 72

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00005102 Velloquercetin 3,3'-dimethyl ether 93.44
C00005002 3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-alpha-methyl-gamma,4-dioxo-4H-1-benzopyran-8-butanoic acid
93.33
C00005014 5,3',4'-Trihydroxy-3,7-dimethoxy-6-prenylflavone
6-Prenylquercetin 3-methyl ether
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
93.33
C00004141 Apigenin 7-xyloside 91.80
C00003972 Gardenin C
3',5-Dihydroxy-4',5',6,7,8-pentamethoxyflavon
5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one
91.67
C00004782 5,4'-Dihydroxy-3,6,7,8,2'-pentamethoxyflavone 91.67
C00004793 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone
5,4',5'-Trihydroxy-3,6,7,8-tetramethoxyflavone
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
91.67
C00004797 3,5,4'-Trihydroxy-6,7,8,3'-tetramethoxyflavone
3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one
91.67
C00004799 5,4'-Dihydroxy-3,6,7,8,3'pentamethoxyflavone
5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone
3'-Methoxycalycopterin
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
91.67
C00004800 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
91.67
C00004914 8-Hydroxygalangin 3-methyl ether 8-methylbutyrate 91.67
C00004918 3,5,7-Trihydroxy-8-methoxyflavone 3-angelate 91.67
C00004920 Isognaphalin 8-butyrate 91.67
C00005011 5,7,4'-Trihydroxy-3,8-dimethoxy-6-prenylflavone
6-Prenylherbacetin 3,8-dimethyl ether
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,8-dimethoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
91.67
C00005096 Vellokaempferol 3,5-dimethyl ether 91.67
C00013418 Artocarpetin B
5-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
91.67
C00006101 Isomolludistin
6-alpha-L-Arabinopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
90.48
C00013600 5,6-Dihydroxy-7-methoxyflavone 6-O-beta-D-xylopyranoside
5-Hydroxy-7-methoxy-2-phenyl-6-(b-D-xylopyranosyloxy)-4H-1-benzopyran-4-one
90.48
C00004095 Demethyltorosaflavone C
cis-(+-)-2-(3,4-Dihydroxyphenyl)-5b,8a-dihydro-5,7-dihydroxy-6-methyl-4H,8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione
90.32
C00005027 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone 90.32
C00013529 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one 90.32
C00013530 3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone 90.32
C00013544 (2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid 90.32
C00004989 Gnaphaliin 7-epoxymethylbutyl ether 90.16
C00005065 5-Hydroxy-3,6,7,8-tetramethoxy-3',4'-methylenedioxyflavone
5-Demethylmelibentin
2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
90.16
C00006078 Cerarvensin
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-beta-D-xylopyranosyl-4H-1-benzopyran-4-one
90.16
C00006079 Isomollupentin
6-C-Arabinosylapigenin
6-alpha-L-Arabinopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
90.16
C00006080 Mollupentin
Apigenin-8-C-alpha-L-arabinopyranoside
8-alpha-L-Arabinopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
90.16
C00006416 Hoslunddiol 90.16
C00002354 Phyllospadine 90.00
C00003929 4'-Hydroxy-5-methoxy-7-(3-methyl-2,3-epoxybutoxy)flavone 90.00
C00003932 5,4'-Dihidroxy-6,7,8,3'-tetramethoxyflavone
7-Methylsudachitin
8-Methoxycirsilineol
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one
5,4'-Dihydroxy-6,7,8,3'-tetramethoxyflavone
90.00
C00003935 3'-Hydroxy-5,6,7,8,4'-pentamethoxyflavone 90.00
C00003936 5-Demethylnobiletin 90.00
C00003971 Scaposin 90.00
C00004022 5-Allyloxysalvigenin 90.00
C00004040 Baohuosu 90.00
C00004670 Calycopterin
5,4'-Dihydroxy-3,6,7,8-tetramethoxyflavone
5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
90.00
C00004673 5-Hydroxyauranetin
5-Hydroxy-3,6,7,8,4'-pentamethoxyflavone
5-Hydroxy-3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-1-Benzopyran-4-one
90.00
C00004674 3,5,6,7,8,4'-Hexamethoxyflavone
3,5,6,7,8-Pentamethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
90.00
C00004783 5,2'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone 90.00
C00004801 3,5-Dihydroxy-6,7,8,3',4'-pentamethoxyflavone
2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one
90.00
C00004817 5,5'-Dihidroxy-3,6,7,2',4'-pentamethoxyflavone 90.00
C00004834 5,3'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone 90.00
C00004850 5,7,2',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 90.00
C00004851 5,7,2',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone 90.00
C00004860 5,7,3',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone 90.00
C00004915 8-Hydroxygalangin 3-methyl ether 8-angelate 90.00
C00004925 Pollenitin 8-butyrate 90.00
C00004927 Herbacetin 7,4'-dimethyl ether 8-butyrate 90.00
C00004928 Quercetin 3-isobutyrate 90.00
C00004941 Gossypetin 3,7,3'-trimethyl ether 8-acetate 90.00
C00004997 Topazolin hydrate
5,7-Dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
90.00
C00004999 5,7-Dihydroxy-3,6-dimethoxy-4'-prenyloxyflavone 90.00
C00005005 3,5,7-Trihydroxy-8-methoxy-4'-prenyloxyflavone 90.00
C00005008 5,4'-Dihydroxy-3,3'-dimethoxy-7-prenyloxyflavone 90.00
C00005013 Gancaonin P 3'methyl ether
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
90.00
C00005015 5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone 90.00
C00005064 3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone 90.00
C00005081 4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone 90.00
C00005097 Vellokaempferol 3,4'-dimethyl ether 90.00
C00005115 Isorhynchospermin 90.00
C00009835 Viridiflorin
5,7,4'-Trihydroxy-2',5'-dimethoxy-6-prenylisoflavone
90.00
C00013347 5,4'-Dihydroxy-6,7,8,3',5'-pentamethoxyflavone
5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one
90.00
C00013470 Multijuginol
(7aR,10S,10aS)-rel-(+)-7a,9,10,10a-Tetrahydro-10-hydroxy-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one
90.00
C00013502 Oxyisocyclointegrin
6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one
90.00
C00013519 Brevicornin
3,5,7-Trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
90.00
C00013527 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one 90.00
C00013547 5,7,8-Trihydroxy-3-methoxyflavone 8-((E)-2-methylbut-2-enoate)
(2E)-5,7-Dihydroxy-3-methoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
90.00
C00014381 (2R,3R)-3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone 90.00
C00019066 5,4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)-3''-methoxyfurano[4'',5'':6,7]isoflavone 90.00
C00039083 Ebenfuran VIII 90.00
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