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


and

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




INPUT WORD = C00042699 , 50% or more
[ Metabolite Name : Ligudentatol ]
Number of matched data : 61

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00020072 (+)-Calamenene
(+)-cis-Calamenene		 90.32
C00020074 Calamenene
(-)-cis-Calamenene
L-Calamenene
(-)-Calamenene		 90.32
C00020199 5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol 90.32
C00036907 cis-Calamenene 90.32
C00037928 trans-Calamenene 90.32
C00012542 (-)-beta-Herbertenol
beta-Herbertenol
2-Hydroxyisocuparene
(S)-2-Methyl-4-(1,2,2-trimethylcyclopentyl)phenol		 87.88
C00012761 1,2-Dehydro-alpha-cyperone
(+)-Eudesma-1,4,11-trien-3-one
(4aS-cis)-5,6,7,8-Tetrahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(4aH)-naphthalenone		 87.88
C00013242 Occidol
(R)-1,2,3,4-Tetrahydro-a,a,5,8-tetramethyl-2-naphthalenemethanol		 87.88
C00012541 (-)-Herbertene
(-)-Isocuparene
Herbertene
Isocuparene
(S)-1-Methyl-3-(1,2,2-trimethylcyclopentyl)benzene		 87.10
C00013229 Ligujapone
(S)-3,4-Dihydro-6-hydroxy-3-(1-methylethenyl)-1(2H)-naphthalenone		 87.10
C00020070 gamma-Calacorene 87.10
C00043513 Frustulosinol 87.10
C00048328 beta-Calacorene 87.10
C00012437 (-)-Lepidozenol
Lepidozenol		 84.85
C00020069 3-Hydroxy-beta-calacorene 84.85
C00020200 3-Methoxy-14-norcalamenene 84.85
C00020201 3-Hydroxy-14-nor-10-calamenenone 84.85
C00020398 1beta,10betaH-Guaia-4,11-dien-3-one 84.85
C00022791 1alpha,7alpha,10alphaH-Guaia-4,11(13)-dien-3-one 84.85
C00037012 Dehydrocarissone 84.85
C00011628 [S-[R*,S*-(E)]]-2-Methyl-6-(4-methylene-2-cyclohexen-1-yl)-2-heptenal 84.38
C00030433 Sordarial 84.38
C00043014 Sohirnone A 84.38
C00011500 trans-(+-)-2-Methyl-5-(2-methyl-5-isopropenyltetrahydro-2-furyl)furan 83.87
C00011501 trans-(+-)-2-Methyl-5-(2-methyl-5-isopropyltetrahydro-2-furyl)furan 83.87
C00011502 cis-(+-)-2,3,4,5-Tetrahydro-2,5'-dimethyl-5-(1-methylethenyl)-2,2'-bifuran 83.87
C00011503 cis-(+-)-2-Methyl-5-(2-methyl-5-isopropyltetrahydro-2-furyl)furan 83.87
C00013217 Chamaecynone
Chamecynone
[1S-(1alpha,4abeta,7beta,8abeta)]-7-Ethynyl-4a,5,6,7,8,8a-hexahydro-1,4a-dimethyl-2(1H)-naphthalenone		 83.87
C00013218 Isochamaecynone
[1R-(1alpha,4aalpha,7alpha,8aalpha)]-7-ethynyl-4a,5,6,7,8,8a-Hexahydro-1,4a-dimethyl-2(1H)-naphthalenone		 83.87
C00015406 F 11334A1 83.87
C00015408 F 11334A3 83.87
C00015410 (E)-2-(3-methoxy-3-methyl-1-butenyl)-1,4-benzenediol
F 11334B2		 83.87
C00020067 alpha-Calacorene 83.87
C00021589 15-Nor-2-acoren-4-one 83.87
C00029866 Cadina-1,4-diene
Cadina-1(2),4-diene
Cubenene
Cadine-1,4-diene
cis-Cadina-1, 4-diene		 83.87
C00030221 Ethyl caffeate
Ethyl 3,4-dihydroxy cinnamate		 83.87
C00043512 Frustulosin 83.87
C00012845 1-keto-alpha-Cyperone 82.86
C00013243 Rishitinol
(2R,3S)-rel-(+)-1,2,3,4-Tetrahydro-3-hydroxy-alpha,alpha,5,8-tetramethyl-2-naphthalenemethanol		 82.86
C00020117 Mansonone A
5,6,7,8-Tetrahydro-5-isopropyl-3,8-dimethyl-1,2-naphthoquinone		 82.86
C00020202 3-Methoxy-14-nor-10-calamenenone 82.86
C00021950 Perforene 82.86
C00012552 (-)-Debromoaplysin
Debromoaplysin
[3S-(3alpha,3abeta,8bbeta)]-2,3,3alpha,8beta-tetrahydro-3,3alpha,6,8beta-tetramethyl-1H-cyclopenta[b]benzofuran		 82.35
C00021240 ent-Cyclocolorenone
(+)-Cyclocolorenone		 82.35
C00030184 CID is old! 82.35
C00045546 2-Methoxy-6-heptyl-1,4-benzoquinone 82.35
C00003135 Glutinosone 81.82
C00012432 (-)-Isobicyclogermacrenal 81.82
C00012433 (-)-Lepidozienal
Lepidozenal
Lepidozienal		 81.82
C00012511 (-)-delta-Cuparenol
(S)-2-Hydroxycuparene
delta-Cuparenol
Cuparophenol
(S)-2-Methyl-5-(1,2,2-trimethylcyclopentyl)phenol		 81.82
C00012543 (-)-alpha-Herbertenol
alpha-Herbertenol
4-Hydroxyisocuparene
(S)-4-Methyl-2-(1,2,2-trimethylcyclopentyl)phenol		 81.82
C00012759 (+)-alpha-Cyperone
Eudesma-4,11-dien-3-one
(4aS-cis)-4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone		 81.82
C00013228 Liguhodgsonal
(R)-5,6,7,8-Tetrahydro-3-hydroxy-7-(1-methylethenyl)-1-naphthalenecarboxaldehyde		 81.82
C00017588 (-)-Asperfuran
Asperfuran		 81.82
C00020068 3-Hydroxy-alpha-calacorene 81.82
C00020397 Rotundone 81.82
C00029348 (Z)-alpha-trans-Bergamotol 81.82
C00033707 Caulophyllumine B
(-)-Caulophyllumine B		 81.82
C00034980 (-)-7-Hydroxycalamenene 81.82
C00035673 Lanceoloxide
(-)-Lanceoloxide		 81.82
C00035990 (-)-gamma-Herbertenol 81.82
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