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


and

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





INPUT WORD = C00033051 , 50% or more
[ Metabolite Name : Irisoid A ]
Number of matched data : 65

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00033054 Irisoid D 98.08
C00033052 Irisoid B 96.23
C00033053 Irisoid C 96.23
C00046036 Irisflavone A 96.08
C00033055 Irisoid E 94.44
C00003875 Tenaxin I 94.23
C00046037 Irisflavone B 94.23
C00003903 5,7,2'-Trihydroxy-8,6'-dimethoxyflavone 94.12
C00004596 5,7,4'-Trihydroxy-3,6-dimethoxyflavone
6-Methoxykaempferol 3-methyl ether
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one
94.12
C00009472 Podospicatin
5,7,2'-Trihydroxy-6,5'-dimethoxyisoflavone
94.12
C00009474 Iristectorigenin B
5,7,4'-Trihydroxy-6,3'-dimethoxyisoflavone
94.12
C00013312 5,7,2'-trihydroxy-6,8-dimethoxyflavone
5,7-Dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one
94.12
C00019305 5,7,4'-Trihydroxy-6,8-dimethoxyisoflavone 94.12
C00036623 CID is old! 94.12
C00005108 Benthamianin
3,4,8,10-Tetrahydroxy-9-methoxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one
92.45
C00001096 Santin 92.31
C00003937 5,7,2',4'-Tetrahydroxy-6,5'-dimethoxyflavone 92.31
C00004609 5,2'-Dihydroxy-3,7,8-trimethoxyflavone 92.31
C00004626 Morin 3,2',4'-trimethyl ether 92.31
C00004647 Ayanin
3,7,4'-Tri-O-methylquercetin
5,3'-Dihydroxy-3,7,4'-trimethoxyflavone
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one
Ayarin
92.31
C00004666 5,7,8,4'-Tetrahydroxy-3,6-dimethoxyflavone 92.31
C00004684 Axillarin
3,6-Dimethoxy-5,7,3',4'-tetrahydroxyflavone
Quercetagetin 3,6-dimethyl ether
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one
92.31
C00009480 Junipegenin B
Dalspinosin
5,7-Dihydroxy-6,3',4'-trimethoxyisoflavone
92.31
C00003876 Desmethoxysudachitin
5,7,4'-Trihydroxy-6,8-dimethoxyflavone
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one
92.16
C00003890 Jaceosidin
5,7,4'-Trihydroxy-6,3'-dimethoxyflavone
92.16
C00003891 Desmethoxycentaureidin
5,7,3'-Trihydroxy-6,4'-dimethoxyflavone
Demethoxycentaureidin
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
92.16
C00004544 5,7-Dihydroxy-3,6-dimethoxyflavone
3-O-Methylalnusin
Alnusin 3-methyl ether
5,7-Dihydroxy-3,6-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
92.16
C00004615 5,7,4'-Trihydroxy-3,8-dimethoxyflavone
Herbacetin 3,8-dimethyl ether
3,8-Dimethylherbacetin
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,8-dimethoxy-4H-1-benzopyran-4-one
92.16
C00004639 3,3'-Dimethylquercetin
Quercetin 3,3'-dimethyl ether
5,7,4'-Trihydroxy-3,3'-dimethoxyflavone
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
92.16
C00013352 5,7,8-Trihydroxy-3,6-dimethoxyflavone 92.16
C00013355 5,7,8-Trihydroxy-3,4'-dimethoxyflavone
5,7,8-Trihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
92.16
C00019020 5'-Formylpratensein
5,7,3'-Trihydroxy-4'-methoxy-5'-formylisoflavone
92.16
C00019203 4,2'-Epoxy-7,4'-dihydroxy-5,5'-dimethoxy-3-phenylcoumarin 92.16
C00019204 4,2'-Epoxy-5,4'-dihydroxy-7,5'-dimethoxy-3-phenylcoumarin 92.16
C00036554 Iriflogenin
3'-Methoxyirilone
92.16
C00004080 Tamadone
2-(2,4-Dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one
90.74
C00004694 Centaureidin
5,7,3'-Trihydroxy-3,6,4'-trimethoxyflavone
Desmethoxycentaureidine
Quercetagetin 3,4',6-trimethyl ether
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one
90.74
C00046038 Irisflavone C 90.74
C00009476 Dipteryxine
Isoplatycarpanetin
7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxyisoflavone
90.57
C00009861 Squarrosin
5-Hydroxy-3',4'-dimethoxy-6,7-methylenedioxyisoflavone
90.57
C00003845 Eupatilin
2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
90.38
C00003879 5,4'-Dihydroxy-6,7,8-trimethoxyflavone
Xanthomicrol
5-Hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one
90.38
C00003894 Eupatorin
3',5-Dihydroxy-4',6,7-trimethoxyflavone
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
90.38
C00003904 Rivularin (flavone)
5-Hydroxy-2-(2-hydroxy-6-methoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one
90.38
C00003905 5,7-Dihydroxy-8,2',6'-trimethoxyflavone 90.38
C00003926 5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone 90.38
C00003954 Ganhuangenin 90.38
C00003956 5,7,2',4'-Tetrahydroxy-8,5'-dimethoxyflavone 90.38
C00004586 5,8-Dihydroxy-3,6,7-trimethoxyflavone
5,8-Dihydroxy-3,6,7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one
90.38
C00004587 Araneol
5,7-Dihydroxy-3,6,8-trimethoxyflavone
5,7-Dihydroxy-3,6,8-trimethoxy-2-phenyl-4H-1-benzopyran-4-one
90.38
C00004588 3,5-Dihydroxy-6,7,8-trimethoxyflavone
3,5-Dihydroxy-6,7,8-trimethoxy-2-phenyl-4H-1-benzopyran-4-one
90.38
C00004603 Penduletin
5,4'-Dihydroxy-3,6,7-trimethoxyflavone
5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one
90.38
C00004619 Herbacetin 3,7,8-trimethyl ether
5,4'-Dihydroxy-3,7,8-trimethoxyflavone
5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one
90.38
C00004620 Herbacetin 3,7,4'-trimethyl ether 90.38
C00004621 Herbacetin 3,8,4'-trimethyl ether
5,7-Dihydroxy-3,8,4'-trimethoxyflavone
3,8,4'-Trimethylherbacetin
5,7-dDihydroxy-3,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
90.38
C00004645 Quercetin 3,5,3'-trimethyl ether 90.38
C00004648 Quercetin 3,3',4'-trimethyl ether
5,7-Dihydroxy-3,3',4'-trimethoxyflavone
2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one
90.38
C00004686 Quercetagetin 3,3'-dimethyl ether 90.38
C00004690 Laciniatin
3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
90.38
C00004727 Gossypetin 3,8-dimethyl ether
5,7,3',4'-Tetrahydroxy-3,8-dimethoxyflavone
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one
90.38
C00004898 6-C-Methylquercetin 3,3'-dimethyl ether 90.38
C00009770 Tephrosol
3-Hydroxy-2-methoxy-8,9-methylenedioxycoumestan
90.38
C00009771 Sophoracoumestan B
3-Hydroxy-4-methoxy-8,9-methylenedioxycoumestan
90.38
C00013332 5,4'-dihydroxy-7,3',5'-trimethoxyflavone
5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
90.38
C00013595 Cirsilineol
Anisomelin
Eupatrin
Fastigenin
5,4'-Dihydroxy-6,7,3'-trimethoxyflavone
90.38
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