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


and

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




INPUT WORD = C00035539 , 50% or more
[ Metabolite Name : beta-Isocyclolavandulyl isobutyrate ]
Number of matched data : 54

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00035540 beta-Isocyclolavandulyl isovalerate 94.12
C00035541 beta-Isocyclolavandulyl propionate 93.75
C00012463 (+)-Humulenol II
Humulenol
Humulenol II		 90.63
C00035675 Lavandulyl isobutyrate 90.63
C00012444 Humulene 1,2-epoxide
Humulene epoxide II
(-)-Humulene epoxide II
Humulene 6,7-epoxide
Humulene II epoxide
Humulene oxide II		 87.88
C00021899 Allohimachalol 87.88
C00011730 [S-(E)]-4-Methyl-10-methylene-7-(1-methylethenyl)-4-cyclodecen-1-one 87.50
C00021780 delta9(12)-Capnellene 87.50
C00035538 beta-Isocyclolavandulyl acetate 87.50
C00036063 Buddledone A 87.50
C00012006 Saussurea lactone
(all-S)-Hexahydro-7-isopropenyl-3,6-dimethyl-6-vinyl-2(3H)-benzofuranone		 85.71
C00012020 Callitrin 85.71
C00011506 Artemone 85.29
C00017558 KS 504d 85.29
C00021796 Ceratopicanol 85.29
C00031538 2,9-Humuladien-6-ol-8-one
(-)-2,9-Humuladien-6-ol-8-one		 85.29
C00040069 Presilphiperfolan-1-ol
(-)-Presilphiperfolan-1-ol		 85.29
C00046922 Secobotrytriendiol
(+)-Secobotrytriendiol		 85.29
C00010308 Dehydronerol isovalerate 84.85
C00012503 (+)-Bicyclohumulenone
Bicyclohumulenone
[1S-(1R*,5E,10R*)]-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one		 84.85
C00013554 [1R-(1alpha,3abeta,4beta,7aalpha)]-Octahydro-3a-methyl-7-methylene-1-(2-methyl-2-propenyl)-1H-inden-4-ol 84.85
C00016998 (+)-Valencenol
Valencenol		 84.85
C00017515 (-)-Valeranone
(-)-Jatamansone		 84.85
C00021901 4-Ambiguen-1-ol 84.85
C00021963 Widdrol 84.85
C00029912 Caryophylladienol I 84.85
C00029913 Caryophylla-4(12),8(13)-dien-5beta-ol
Caryophylladienol II
Caryophylla-4(12),8(13)-dien-5alpha-ol		 84.85
C00035994 (E,Z)-2,4-Decadienyl isovalerate 84.85
C00049072 1-Himachalen-4beta-ol
(+)-1-Himachalen-4beta-ol		 84.85
C00011374 Crocinervolide 84.38
C00011556 [R-(Z,E)]-5-(2,2-Dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadien-1-ol 84.38
C00011557 gamma-Monocyclofarnesol
trans-gamma-Monocyclofarnesol		 84.38
C00011584 Striatenone 84.38
C00011714 Preisocalamendiol
Preisocalamenediol		 84.38
C00012013 [1S-(1alpha,2beta,3alpha,5alpha)]-2-Ethenyl-2-methyl-3,5-bis(1-methylethenyl)-cyclohexanol 84.38
C00012455 beta-Humulene 84.38
C00016965 (+)-beta-Gorgonene
beta-Gorgonen
beta-Gorgonene		 84.38
C00016975 Eremophilene 84.38
C00020166 Calacone 84.38
C00021459 delta6-Protoilludene 84.38
C00021829 beta-Isocomene 84.38
C00021959 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol 84.38
C00025553 3alpha-Isobutyryloxytropane
Butropine		 84.38
C00029298 (+)-Dehydrovomifoliol
Dehydrovomifoliol
S-(+)-Dehydrovomifoliol		 84.38
C00029834 (+)-Blumenol A
Blumenol A
Roseoside aglycon
Vomifoliol
(+)-Vomifoliol		 84.38
C00030881 Octyl 2-methylbutyrate 84.38
C00031308 Sarmentol A
(-)-Sarmentol A		 84.38
C00031309 Sarmentol B
(+)-Sarmentol B
9-epi-Sarmentol A		 84.38
C00031310 Sarmentol D 84.38
C00034741 Valencene 84.38
C00035627 Ginsinsene 84.38
C00035643 Hexyl caprylate 84.38
C00037332 Isoledene
(-)-Isoledene		 84.38
C00048825 Polydactin A 84.38
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