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


and

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




INPUT WORD = C00011922 , 50% or more
[ Metabolite Name : Theonellin isothiocyanate ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011920 Theonellin formamide 94.44
C00011921 3-Isocyanotheonellin
Theonellin isocyanide		 91.67
C00021245 Epipolasin B 89.47
C00013549 Axisothiocyanate 1
(1R,3aR,7aR)-Octahydro-1-[(1S)-1-isothiocyanato-2-methylpropyl]-3a-methyl-7-methylene-1H-indene		 89.19
C00021427 6-Isodaucene 14-isothiocyanate 89.19
C00021665 10-Isothiocyanato-4-cadinene 89.19
C00021668 (1R,6S,7S,10S)-10-Isothiocyanato-4-amorphene
10-Isothiocyanato-4-amorphene		 89.19
C00038558 Axinisothiocyanate K
(+)-Axinisothiocyanate K		 89.19
C00021243 10alpha-Isothiocyanatoalloaromadendrane 86.84
C00021244 Axisothiocyanate 2 86.84
C00021645 Acanthisothiocyanate 3 86.49
C00021664 10-Isothiocyanatoguai-6-ene 86.49
C00021242 Axisonitrile 2 86.11
C00021426 6-Isodaucene 14-isonitrile 86.11
C00049777 4alpha-Isocyanogorgon-11-ene 86.11
C00038559 Axinisothiocyanate L
(-)-Axinisothiocyanate L		 84.62
C00038560 Axinisothiocyanate M
(-)-Axinisothiocyanate M		 84.62
C00048623 Axiplyn C
(+)-Axiplyn C		 84.62
C00021211 1-Isothiocyanatoaromadendrane 84.21
C00021241 Axamide 2 84.21
C00013244 Axamide 1
[1R-[1alpha(S*),3aalpha,7aalpha]]-N-[2-Methyl-1-(octahydro-3a-methyl-7-methylene-1H-inden-1-yl)propyl]formamide		 83.78
C00013552 Axisothiocyanate 4
(1R,3aR,7aR)-Octahydro-1-(1-isothiocyanato-2-methyl-1-propenyl)-3a-methyl-7-methylene-1H-indene		 83.78
C00020115 1-Isothiocyanato-4-muurolene 83.78
C00021603 Laurencenone A 83.78
C00021613 2-Chloro-3-hydroxy-7-chamigren-9-one 83.78
C00021627 3-Bromo-4-chloro-7(14)-chamigren-9-ol 83.78
C00021647 Axisothiocyanate 3 83.78
C00021666 Acanthene B 83.78
C00003112 (+)-Cedrol
Cedrol
alpha-Cedrol		 83.33
C00011508 Helepuberic acid 83.33
C00011694 [R-(R*,R*)]-4-(1-Isocyanato-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene 83.33
C00013550 Axisonitrile 1
(1R,3aR,7aR)-Octahydro-1-[(1S)-1-isocyano-2-methylpropyl]-3a-methyl-7-methylene-1H-indene		 83.33
C00020052 gamma1-Cadinene 83.33
C00020060 Isokhusinoloxide 83.33
C00020093 1,4-Epoxycadinane 83.33
C00020095 4,10-Epoxymuurolane 83.33
C00020250 alpha-Oplopenone 83.33
C00020369 11,12-Epoxy-10(14)-guaien-4-ol 83.33
C00021272 Cubebol
Cubeb camphor
(-)-Cubebol		 83.33
C00021667 7-Isothiocyanato-7,8-dihydro-alpha-bisabolene 83.33
C00021734 4-Ketocedrol 83.33
C00021902 Bazzanenol 83.33
C00021977 2-Isocyanopupukeanane 83.33
C00033138 Madolin A
(+)-Madolin A		 83.33
C00038273 4,5-Dehydroviridiflorol
(+)-4,5-Dehydroviridiflorol		 83.33
C00039330 Halichonadin F
(+)-Halichonadin F		 83.33
C00046143 Microbiotol
(-)-Microbiotol		 83.33
C00048620 Axinythiocyanate A
(+)-Axinythiocyanate A		 83.33
C00050396 Pogostol O-methyl ether
(-)-Pogostol O-methyl ether		 83.33
C00038557 Axinisothiocyanate J
(+)-Axinisothiocyanate J		 82.05
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