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


and

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




INPUT WORD = C00011921 , 50% or more
[ Metabolite Name : 3-Isocyanotheonellin , Theonellin isocyanide ]
Number of matched data : 93

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00011920 Theonellin formamide 91.67
C00011922 Theonellin isothiocyanate 91.67
C00021426 6-Isodaucene 14-isonitrile 91.43
C00049777 4alpha-Isocyanogorgon-11-ene 91.43
C00021242 Axisonitrile 2 88.89
C00013550 Axisonitrile 1
(1R,3aR,7aR)-Octahydro-1-[(1S)-1-isocyano-2-methylpropyl]-3a-methyl-7-methylene-1H-indene		 88.57
C00003112 (+)-Cedrol
Cedrol
alpha-Cedrol		 88.24
C00020052 gamma1-Cadinene 88.24
C00020093 1,4-Epoxycadinane 88.24
C00020095 4,10-Epoxymuurolane 88.24
C00020250 alpha-Oplopenone 88.24
C00021272 Cubebol
Cubeb camphor
(-)-Cubebol		 88.24
C00038273 4,5-Dehydroviridiflorol
(+)-4,5-Dehydroviridiflorol		 88.24
C00039330 Halichonadin F
(+)-Halichonadin F		 88.24
C00046143 Microbiotol
(-)-Microbiotol		 88.24
C00012822 (1alpha,2beta,4aalpha,8aalpha)-Decahydro-1-isocyano-4a-methyl-8-methylene-2-(1-methylethyl)-naphthalene
6-Isocyano-4(15)-eudesmene		 85.71
C00020385 Dolichlasin 85.71
C00021644 Acanthisonitrile 3 85.71
C00021648 Axisonitrile 3 85.71
C00031641 Cadin-10(14)-ene-4beta,5alpha-diol
(-)-Cadin-10(14)-ene-4beta,5alpha-diol		 85.71
C00039328 Halichonadin C
(-)-Halichonadin C		 85.71
C00050396 Pogostol O-methyl ether
(-)-Pogostol O-methyl ether		 85.71
C00003121 beta-Cubebene 85.29
C00003161 Ledol
(+)-Ledol		 85.29
C00011446 [2S-[2alpha,5alpha(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran 85.29
C00011447 [2S-[2alpha,5beta(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran 85.29
C00011465 Isodavanone
[2alpha(E),5alpha]-(+)-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-4-hepten-3-one		 85.29
C00011520 Chokol B 85.29
C00011695 [R-(R*,R*)]-4-(1-Isocyano-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene 85.29
C00011918 Sesquicineole 85.29
C00011968 Sesquisabinene hydrate 85.29
C00012519 (+)-Cuprenenol
Cuprenenol		 85.29
C00012703 4,11-Epoxy-cis-eudesmane 85.29
C00016959 (+)-Maaliol
Maaliol
Maali alcohol		 85.29
C00020041 beta1-Bulgarene
4,9-Bulgaradiene		 85.29
C00020044 (-)-epsilon-Bulgarene 85.29
C00020051 alpha-Cadinene 85.29
C00020252 beta-Oploplenone
beta-Oplopenone
Oplopenone		 85.29
C00020348 Precarabrone 85.29
C00020378 Epoxyguaiene
1alpha,5alpha-Epoxy-alpha-guaiene		 85.29
C00020384 6,9-Guaiadiene 85.29
C00020395 Alismol 85.29
C00020409 Nardol 85.29
C00020410 Pogostol 85.29
C00020423 Kessane 85.29
C00021213 (-)-Globulol
Globulol		 85.29
C00021217 Viridiflorol
Himbaccol		 85.29
C00021226 4-Aromadendrene 85.29
C00021227 alpha-Gurjunene 85.29
C00021302 Leptographiol 85.29
C00021303 Isoleptographiol 85.29
C00021310 gamma-Himachalene 85.29
C00021322 Marsupellol 85.29
C00021329 Longicyclene 85.29
C00021417 Carota-1,4-beta-oxide 85.29
C00021423 1,5-Epoxysalvial-4(14)-ene 85.29
C00021429 Mintsulfide 85.29
C00021669 7-Isocyano-7,8-dihydro-a-bisabolene 85.29
C00021720 beta-Cedrene
(+)-beta-Cedrene		 85.29
C00021721 (+)-2,5-Diepi-beta-cedrene 85.29
C00021724 beta-Isobiotol 85.29
C00021725 beta-Biotol 85.29
C00021799 Pentalenene 85.29
C00021818 2-Silphiperfolanol 85.29
C00021835 Panasinsanol B 85.29
C00021836 Panasinsanol A 85.29
C00021849 (+)-alpha-Santalan-12-one 85.29
C00021859 (+)-Cyclosativene
Cyclosativene		 85.29
C00021862 Copaborneol 85.29
C00021863 Copacamphor 85.29
C00021864 Sinularene 85.29
C00021902 Bazzanenol 85.29
C00021984 Lemnalol 85.29
C00029817 (-)-beta-Longipinene
beta-Longipinene		 85.29
C00029917 Cedr-8(15)-en-9-ol 85.29
C00030434 Guaia-6,9-diene
(+)-Guaia-6,9-diene		 85.29
C00031766 epi-Cubebol
Epicubebol
4-epi-Cubebol		 85.29
C00033660 beta-Ylangene 85.29
C00033674 beta-Copaen-4-alpha-ol 85.29
C00034985 (+)-Globulol 85.29
C00035302 ent-4-epi-Maaliol 85.29
C00035811 beta-Funebrene
(-)-beta-Funebrene		 85.29
C00036710 alpha-Copane 85.29
C00038056 (-)-Longiborneol 85.29
C00038071 (+)-alpha-Gurjunene 85.29
C00040741 (-)-Ledol 85.29
C00042019 (Z)-1beta-hydroxy-2-hydrolanceol 85.29
C00044033 (+)-beta-Copaene 85.29
C00044034 (+)-beta-Microbiotene 85.29
C00044886 Litseahumulane A
(-)-Litseahumulane A		 85.29
C00046204 Neocuprenenol
(+)-Neocuprenenol		 85.29
C00048329 beta-Copaene 85.29
C00050146 Longiborneol 85.29
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