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


and

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




INPUT WORD = C00021644 , 50% or more
[ Metabolite Name : Acanthisonitrile 3 ]
Number of matched data : 57

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012950 (-)-Stylotelline
Stylotelline
[1R-(1alpha,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-8a-isocyano-1,4a-dimethyl-7-propylnaphthalene		 91.43
C00021645 Acanthisothiocyanate 3 89.19
C00021648 Axisonitrile 3 88.57
C00021210 1-Isocyanoaromadendrane 86.11
C00021242 Axisonitrile 2 86.11
C00021977 2-Isocyanopupukeanane 86.11
C00021978 9-Isocyanopupukeanane 86.11
C00021979 9-epi-9-Isocyanopupukeanane 86.11
C00011921 3-Isocyanotheonellin
Theonellin isocyanide		 85.71
C00012690 [1R-(1alpha,4alpha,4aalpha,8abeta)]-4-Bromo-1,2,3,4,4a,5,8,8a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-naphthalenol 85.71
C00012788 (-)-Oplodiol
Oplodiol
[1S-(1alpha,4alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,8,8a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1,4-naphthalenediol		 85.71
C00012822 (1alpha,2beta,4aalpha,8aalpha)-Decahydro-1-isocyano-4a-methyl-8-methylene-2-(1-methylethyl)-naphthalene
6-Isocyano-4(15)-eudesmene		 85.71
C00012828 (3R-trans)-2,3,4,4a,5,6-Hexahydro-3-hydroxy-4a-methyl-7-(1-methylethyl)-1-naphthalenecarboxaldehyde 85.71
C00021664 10-Isothiocyanatoguai-6-ene 83.78
C00003112 (+)-Cedrol
Cedrol
alpha-Cedrol		 82.86
C00003121 beta-Cubebene 82.86
C00012811 Selin-6-en-4alpha-ol
[1R-(1alpha,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-naphthalenol		 82.86
C00013550 Axisonitrile 1
(1R,3aR,7aR)-Octahydro-1-[(1S)-1-isocyano-2-methylpropyl]-3a-methyl-7-methylene-1H-indene		 82.86
C00020050 (-)-Zonarene 82.86
C00020093 1,4-Epoxycadinane 82.86
C00020378 Epoxyguaiene
1alpha,5alpha-Epoxy-alpha-guaiene		 82.86
C00020395 Alismol 82.86
C00021248 (-)-Myliol
Myliol		 82.86
C00021272 Cubebol
Cubeb camphor
(-)-Cubebol		 82.86
C00021298 Valerenenol 82.86
C00021299 Isovalerenenol 82.86
C00021305 Africanone 82.86
C00021426 6-Isodaucene 14-isonitrile 82.86
C00021827 Presilphiperfolanol 82.86
C00021837 Modhephene 82.86
C00021862 Copaborneol 82.86
C00021863 Copacamphor 82.86
C00021867 Copaenol 82.86
C00021910 Cyperolone 82.86
C00036710 alpha-Copane 82.86
C00037114 Epoxycyperene 82.86
C00039317 Gymnomitrone 82.86
C00039328 Halichonadin C
(-)-Halichonadin C		 82.86
C00039330 Halichonadin F
(+)-Halichonadin F		 82.86
C00043049 Suberosenol A
(-)-Suberosenol A		 82.86
C00046941 Suberosenol B
(-)-Suberosenol B		 82.86
C00047686 6-Hydroxy-1-brasilene
(-)-6-Hydroxy-1-brasilene		 82.86
C00050396 Pogostol O-methyl ether
(-)-Pogostol O-methyl ether		 82.86
C00021211 1-Isothiocyanatoaromadendrane 81.58
C00021670 Axisocyanate 3 81.08
C00003225 Bakkenolide A 80.56
C00011920 Theonellin formamide 80.56
C00011922 Theonellin isothiocyanate 80.56
C00012741 [1aR-(1aalpha,2alpha,4aalpha,7alpha,8aS*)]-Octahydro-1a,4a-dimethyl-7-(1-methylethenyl)-3H-naphth[1,8a-b]oxiren-2-ol
4alpha,5alpha-Epoxy-11-eudesmen-3alpha-ol		 80.56
C00012890 Isoasterolide A
[3R-(3alpha,4aalpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(3H)-one		 80.56
C00012891 Isoasterolide B
[3S-(3alpha,4abeta,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(3H)-one		 80.56
C00020060 Isokhusinoloxide 80.56
C00021819 Cantabradienoic acid 80.56
C00021838 Pulicaral 80.56
C00021861 cis-Sativenediol 80.56
C00023998 trans-Sativenediol
(-)-Isosativenediol		 80.56
C00041624 Lepadiformine C 80.56
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