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


and

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




INPUT WORD = C00021325 , 50% or more
[ Metabolite Name : Vulgarone B ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00035896 Vulgarol B 97.06
C00021320 10-Hydroxy-3-longipinen-5-one 94.44
C00011649 Ptilostemonol 94.12
C00012756 [4aR-(4aalpha,6beta,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 94.12
C00012757 [4aS-(4aalpha,6alpha,8abeta)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 94.12
C00012758 [4aS-(4aalpha,6alpha,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 94.12
C00016695 Cheimonophyllon B 94.12
C00021323 Marsupellone 94.12
C00021870 Mustakone 94.12
C00043618 Isolemnalol
(-)-Isolemnalol		 94.12
C00045807 Cubebenone
(+)-Cubebenone		 94.12
C00003113 Centarol 91.43
C00012841 alpha-Rotunol
[4aS-(4aalpha,6beta,8abeta)]-4a,5,6,7,8,8a-hexahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone		 91.43
C00012842 (+)-beta-Rotunol
beta-Rotunol
[4aR-(4aalpha,6alpha,8aalpha)]-4a,5,6,7,8,8a-hexahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone		 91.43
C00012855 Isopterocarpolone
[4aR-(4aalpha,6beta,8abeta)]-4a,5,6,7,8,8a-Hexahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone		 91.43
C00040945 Dictyophorin B 91.43
C00047877 Fetidone B
(+)-Fetidone B		 91.43
C00003118 alpha-Copaene
Copaene
(-)-alpha-Copaene		 91.18
C00003203 alpha-Ylangene 91.18
C00011600 [S-(R*,S*)]-6-(1,5-Dimethyl-3-oxo-4-hexenyl)-3-methyl-2-cyclohexen-1-one 91.18
C00011609 alpha-Bisabol-1-one
1-Bisabolone		 91.18
C00011675 [4R-[4alpha,6alpha(S*)]]-6-(1,5-Dimethyl-4-hexenyl)-4-hydroxy-3-methyl-2-cyclohexen-1-one 91.18
C00011676 6-(1,5-Dimethyl-4-hexenyl)-6-hydroxy-3-methyl-2-cyclohexen-1-one 91.18
C00011680 [S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenal 91.18
C00011681 6-(1,5-Dimethyl-4-hexenyl)-3-(hydroxymethyl)-2-cyclohexen-1-one 91.18
C00012734 alpha-Dictyopterol
Eudesma-3,11-dien-1beta-ol
[1S-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,7,8,8a-Octahydro-4,8a-dimethyl-6-(1-methylethenyl)-1-naphthalenol		 91.18
C00012755 (4aR-cis)-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethylidene)-2(1H)-naphthalenone 91.18
C00016959 (+)-Maaliol
Maaliol
Maali alcohol		 91.18
C00021321 4-Longipinanone 91.18
C00021834 alpha-Panasinsene
alpha-Panasinsanene		 91.18
C00021835 Panasinsanol B 91.18
C00021836 Panasinsanol A 91.18
C00021865 Copadiene 91.18
C00021868 cis-alpha-Copaene-8-ol
alpha-Copaen-8-ol		 91.18
C00021869 alpha-Copaen-8-one 91.18
C00021882 Thujopsenone 91.18
C00029294 (+)-Aristolone 91.18
C00032260 Sugikurojinol A
(4S)-2,6,10-Bisaboratrien-4-ol-1-one		 91.18
C00035302 ent-4-epi-Maaliol 91.18
C00036277 (-)-Eudesma-3,11-dien-5-ol 91.18
C00036714 alpha-Longipinene
(+)-alpha-Longipinene		 91.18
C00038047 (-)-7-epi-Isojunenol 91.18
C00021318 Longipin-2-ene-7beta,9alpha-diol-1-one 89.47
C00021319 10,12-Dihydroxy-3-longipinen-5-one 89.47
C00031768 Epilippidulcine A
(-)-Epilippidulcine A		 88.89
C00031981 Lippidulcine A 88.89
C00040944 Dictyophorin A 88.89
C00047068 Oblongifolidiol
(+)-Oblongifolidiol		 88.89
C00012777 alpha-Chenopodiol
[1R-(1alpha,2beta,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-octahydro-1-hydroxy-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol		 88.57
C00012843 Chenopodienolone
(6R-cis)-6,7,8,8a-Tetrahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone		 88.57
C00037349 Itomanol
(-)-Itomanol		 88.57
C00047214 Dihydroxybergamotene 88.57
Page Top