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


and

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




INPUT WORD = C00003153 , 50% or more
[ Metabolite Name : cis-alpha-Irone ]
Number of matched data : 66

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003154 trans-alpha-Irone 100.00
C00034801 beta-Irone 93.33
C00012709 (-)-alpha-Helmiscapene
alpha-Helmiscapene
[2S-(2a,4ab,8ab)]-1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)naphthalene		 90.32
C00012710 5beta,10alpha-Eudesma-3,11-diene 90.32
C00012711 [2R-(2alpha,4aalpha,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethenyl)naphthalene 90.32
C00029672 (-)-alpha-Selinene
alpha-Selinene		 90.32
C00030189 epi-alpha-Selinene 90.32
C00036276 (-)-Eudesma-2,4(15)-11-triene 90.32
C00036298 (+)-alpha-Selinene 90.32
C00048297 7-epi-alpha-Selinene 90.32
C00011037 trans-Chrysanthenyl acetate 90.00
C00029668 alpha-Cyclogeraniol acetate 90.00
C00034305 Tectoionol B 90.00
C00043138 (6R,9R)-9-Hydroxy-4-megastigmen-3-one 90.00
C00048295 7,8-Dihydro-alpha-ionone
(-)-7,8-Dihydro-alpha-ionone		 90.00
C00012803 7-epi-alpha-Eudesmol
[2S-(2alpha,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol		 87.88
C00039433 Isodactyloxene A
(+)-Isodactyloxene A		 87.88
C00003111 alpha-Cedrene
Cedrene
Cedr-8-ene
(-)-Cedrene		 87.50
C00003118 alpha-Copaene
Copaene
(-)-alpha-Copaene		 87.50
C00003203 alpha-Ylangene 87.50
C00011559 beta-Monocyclonerolidol 87.50
C00021286 alpha-Patchoulene 87.50
C00021722 Di-epi-alpha-cedrene
alpha-Funebrene		 87.50
C00021865 Copadiene 87.50
C00029298 (+)-Dehydrovomifoliol
Dehydrovomifoliol
S-(+)-Dehydrovomifoliol		 87.50
C00029678 alpha-Maaliene 87.50
C00029834 (+)-Blumenol A
Blumenol A
Roseoside aglycon
Vomifoliol
(+)-Vomifoliol		 87.50
C00042289 Blumenol B 87.50
C00003115 alpha-Chamigrene 87.10
C00021903 trans-alpha-Bergamotene
(Z)-alpha-exo-bergamotol
(-)-exo-alpha-Bergamotene
(E)-alpha-Bergamotene
alpha-trans-Bergamotene
alpha-(E)-Bergamotene		 87.10
C00029970 cis-alpha-Bergamotene
alpha-cis-bergamotene		 87.10
C00034891 (+)-Sandvicene
Sandvicene		 87.10
C00035435 (-)-Perfora-1,7-diene 87.10
C00040067 Premnaspirodiene 87.10
C00048311 alpha-Bergamotene 87.10
C00048532 Selina-3,7-diene 87.10
C00011039 (1alpha,5alpha,6alpha)-(-)-2,6-dimethylbicyclo[3.1.1]hept-2-ene-6-methanol acetate 86.67
C00011507 (E)-6,10-Dimethyl-9-methylene-5-undecen-2-one 86.67
C00011633 (+)-Theonellin
Theonellin		 86.67
C00012423 (-)-Noranthoplone
Noranthoplone		 86.67
C00021957 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-ol 86.67
C00029816 beta-Ionone
(E)-beta-Ionone
beta-lonone
trans-beta-ionone		 86.67
C00035180 (-)-alpha-Chamipinene 86.67
C00035434 (-)-cis-beta-Elemene 86.67
C00035586 Dihydroedulan I 86.67
C00036271 (-)-beta-Elemene 86.67
C00043180 3,9-Dihydroxy-4-megastigmene 86.67
C00011575 alpha-Snyderol 85.29
C00000163 alpha-Eudesmol 84.85
C00011579 Dactyloxene B 84.85
C00012736 Ent-8beta-hydroxyeudesma-3,11-diene
[2S-(2alpha,3alpha,4abeta,8aalpha)]-1,2,3,4,4a,7,8,8a-Octahydro-5,8a,dimethyl-3-(1-methylethenyl)-2-naphthalenol		 84.85
C00012738 (2R-cis)-1,2,3,4,6,7,8,8a-Octahydro-5,8a-dimethyl-3-(1-methylethylidene)-2-naphthalenol 84.85
C00012756 [4aR-(4aalpha,6beta,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 84.85
C00012757 [4aS-(4aalpha,6alpha,8abeta)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 84.85
C00012758 [4aS-(4aalpha,6alpha,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 84.85
C00012801 alpha-Verbesinol
[1R-(1alph,2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenol		 84.85
C00012802 Isoacolamone
[2S-(2alpha,4aalpha,8abeta)]-3,4,4a,5,6,8a-Hexahydro-4a,8-dimethyl-2-(1-methylethyl)-1(2H)-naphthalenone		 84.85
C00020065 (-)-alpha-Cadinol
alpha-Cadinol
Cadin-4-en-10-ol		 84.85
C00021637 Majusculone 84.85
C00029348 (Z)-alpha-trans-Bergamotol 84.85
C00033916 Hinesol
(-)-Hinesol		 84.85
C00034905 CID is old! 84.85
C00035184 (+)-alpha-Cadinol 84.85
C00038047 (-)-7-epi-Isojunenol 84.85
C00048308 Agarospirol
(-)-Agarospirol		 84.85
C00049098 7-epi-beta-Eudesmol 84.85
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