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


and

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




INPUT WORD = C00019897 , 50% or more
[ Metabolite Name : (E,E)-8-(7-Hydroxy-3,7-dimethylocta-2,5-dienyloxy) psoralen ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00019892 (E)-8-(6-Hydroperoxy-3,7-dimethylocta-2,7-dienyloxy)psoralen 94.64
C00047681 6',7'-Dihydroxybergamottin 94.64
C00019863 Epoxycollinin 92.59
C00020021 Schinilenol 92.59
C00047753 Bergamottin 92.59
C00020022 Schininallylol 90.74
C00020023 Schinindiol 90.74
C00019833 5-[[3-(4,5-Dihydro-5,5-dimethyl-4-oxo-2-furanyl)-2-butenyl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one 89.47
C00029602 8-Geranyloxy-5-methoxypsoralen
8-Geranyl-5-methoxypsoralen		 89.29
C00032840 Clauslactone N
(+)-Clauslactone N		 89.29
C00019763 Acetoxyaurapten 88.89
C00030547 Isoschinilenol 88.89
C00019868 Ethylnotopterol 87.93
C00019834 Dorstenin 87.72
C00037146 Fesumtuorin B
(+)-Fesumtuorin B		 87.50
C00019780 Angelol L 87.27
C00032841 Clauslactone O
(+)-Clauslactone O		 87.04
C00033194 Micromarin A
(+)-Micromarin A		 87.04
C00035181 Murrayacoumarin A 87.04
C00039186 Excavatin B
(+)-Excavatin B		 87.04
C00039191 Excavatin I
(+)-Excavatin I		 87.04
C00039192 Excavatin J
(+)-Excavatin J		 87.04
C00010054 Bavacoumestan B 85.71
C00037145 Fesumtuorin A
(+)-Fesumtuorin A		 85.71
C00019779 Angelol K 85.45
C00029687 Angelol G 85.45
C00030796 Murrayacoumarin C 85.45
C00033196 Micromarin C
(-)-Micromarin C		 85.45
C00039195 Excavatin M
(+)-Excavatin M		 85.45
C00046675 Clauslactone H
(+)-Clauslactone H		 85.45
C00002495 Rutamarin 85.19
C00019865 (+)-7-(6,7-Epoxy-3,7-dimethyl-5-oxooctanoxy)-coumarin 85.19
C00019891 (E)-7-(6-Hydroperoxy-3,7-dimethylocta-2,7-dienyloxy)coumarin 85.19
C00019912 4-[4-Hydroxy-7-hydroperxy-5,6E-dehydro-6,7-dihydrogeranyloxy]-5-methylcoumarin 85.19
C00019936 Isomurralonginol isovalerate 85.19
C00019968 Murralonginol isovalerate 85.19
C00020003 Praealtin A 85.19
C00020006 Praealtin D 85.19
C00030242 Excavatin E 85.19
C00030936 Pd-C-II 85.19
C00033590 6-Methoxy-7-geranyloxycoumarin
7-O-Geranylscopoletin
6-Methoxyaurapten		 85.19
C00035269 Clauslactone E 85.19
C00036000 2',3'-Epoxyisocapnolactone 85.19
C00036626 6-Methoxy-7-geranyloxy coumarin 85.19
C00037483 Marmin 85.19
C00039187 Excavatin C
(+)-Excavatin C		 85.19
C00043050 Swartziarboreol C
(+)-Swartziarboreol C		 85.19
C00043077 trans-Avicennol 85.19
C00046676 Clauslactone I
(+)-Clauslactone I		 85.19
C00019789 Anisocoumarin I 84.21
C00029989 Clauslactone R 84.21
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