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


and

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





INPUT WORD = C00044611 , 50% or more
[ Metabolite Name : Calocoumarin A ]
Number of matched data : 54

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00010217 Calaustralin 93.65
C00010229 Mammea A/BB
5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(2-methylbutyryl)-4-phenylcoumarin
93.65
C00044571 Brasimarin C
(+)-Brasimarin C
93.65
C00049018 Teysmanone B 90.77
C00010214 Inophyllolide chromanol 90.63
C00010219 5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylbutyryl)-4-phenylcoumarin 90.48
C00010228 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutyryl)-4-phenylcoumarin
Mammea A/BA
90.48
C00044570 Brasimarin B
(+)-Brasimarin B
89.23
C00035840 Inophyllum C 89.06
C00044815 Inophyllum A
(+)-Inophyllum A
89.06
C00044816 Inophyllum D
(+)-Inophyllum D
89.06
C00002482 Mammeisin
Mammea A/AA
5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methylbutyryl)-4-phenylcoumarin
88.89
C00010220 Mesuol
5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-isobutyryl-4-phenylcoumarin
88.89
C00046219 Ochrocarpin E 88.89
C00047462 Isoracemosol 88.89
C00010213 Inophyllum E
cis-and-trans-Inophyllolide
87.50
C00010211 Mammea A/AC 87.30
C00010222 5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin
MAB5
87.30
C00014473 5'-Prenylxanthohumol
3',5'-Diprenyl-4,2',4'-trihydroxy-6-methoxychalcone
87.30
C00046114 Mammea A/AB cyclo D 87.30
C00010224 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(3-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one 86.15
C00010225 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(2-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one
MAB3
86.15
C00013420 Epimedokoreanin B
2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
85.94
C00013517 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 85.94
C00019062 Erysenegalensein E 85.94
C00032791 Butyrolactone I
Olomoucin
85.94
C00004093 Laxifolin
5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
85.71
C00010221 Mammeigin
5-Hydroxy-6'',6''-dimethyl-6-(3-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin
Mammea A/A cyclo D
85.71
C00010226 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one 85.71
C00010227 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(butyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one 85.71
C00014238 Euchrenone a16
5,7-Dihydroxy-8-prenyl-6'',6''-dimethyldihydropyrano[2'',3'':4',3']flavanone
85.71
C00041052 Mammea A/AC cyclo F 85.71
C00043619 Isomundulinol
(-)-Isomundulinol
85.71
C00002455 Calophyllolide 84.62
C00010215 Apetalolide 84.62
C00010269 Calophyllic acid 84.62
C00014622 3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone 84.62
C00046215 Ochrocarpin A
(-)-Ochrocarpin A
84.62
C00046216 Ochrocarpin B
(-)-Ochrocarpin B
84.62
C00005029 Broussoflavonol F
3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
84.38
C00008512 Lupiniol B 84.38
C00010216 Tomentolide A 84.38
C00004045 Fulvinervin C
(E)-5-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
5-Hydroxy-6-[(1E)-3-hydroxy-3-methyl-1-butenyl]-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
84.13
C00007970 Calomelanol C 84.13
C00007984 Helihumulone 84.13
C00008016 Methyllinderatin 84.13
C00009516 6,8-Diprenylgenistein
5,7,4'-Trihydroxy-6,8-diprenylisoflavone
8-(gamma,gamma-Dimethylallyl)wighteone
84.13
C00010197 Serratin 7-O-glucoside
5,7-Dihydroxy-4-phenylcoumarin 7-O-glucoside
84.13
C00010223 Mammea A/AD cyclo D
Mesuagin
84.13
C00014442 Cedrediprenone
2',4'-Dihydroxy-3'-prenyl-5''-(2-hydroxyisopropyl)-4'',5''-dihydrofurano[2'',3'':6',5']chalcone
84.13
C00037532 Myrtiaphenone A
6-Hydroxy-2,4-dimethoxy-3,5-bis(3-methyl-2-butenyl)benzophenone
84.13
C00037695 Pseudoguttiaphenone A
(+)-Pseudoguttiaphenone A
84.13
C00045862 Disparacetylfuran A 84.13
C00046217 Ochrocarpin C 84.13
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