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


and

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




INPUT WORD = C00010390 , 50% or more
[ Metabolite Name : 8-Bromo-1,3,4,7-tetrachloro-7-chloromethyl-3-methyl-1,5-octadiene ]
Number of matched data : 83

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00010391 8-Bromo-1,3,4,7-tetrachloro-3,7-dimethyl-1,5-octadiene 93.55
C00012013 [1S-(1alpha,2beta,3alpha,5alpha)]-2-Ethenyl-2-methyl-3,5-bis(1-methylethenyl)-cyclohexanol 90.63
C00003186 beta-Eudesmene
beta-Selinene		 90.32
C00007453 beta-Elemene
Cyclohexane		 90.32
C00010383 2-(Bromochloromethyl)-1,5,6-trichloro-6-methyl-1,3,7-octatriene 90.32
C00010411 1,8-Dibromo-3,4,7-trichloro-3,7-dimethyl-1,5-octadiene 90.32
C00010421 1,8,8-Tribromo-3,4,7-trichloro-3,7-dimethyl-1,5-octadiene 90.32
C00010424 1,5,7-Tribromo-2,6,8-trichloro-2,6-dimethyl-3-octene 90.32
C00010457 Violacene 90.32
C00011971 Bicycloelemene
(-)-Bicycloelemene
3-Ethenyl-3,7,7-trimethyl-2-(1-methylethenyl)bicyclo[4.1.0]heptane		 90.32
C00012715 (-)-beta-Selinene
(-)-Eudesma-4(14),11-diene
[4aS-(4aalpha,7alpha,8abeta)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene		 90.32
C00012716 5beta,10alpha-Eudesma-4(14),11-diene
[4aS-(4aalpha,7beta,8abeta)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene		 90.32
C00012717 [4aR-(4aalpha,7alpha,8aalpha)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene 90.32
C00012718 beta-Helmiscapene
[4aR-(4aalpha,7beta,8aalpha)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene		 90.32
C00021764 Epizizanal 90.32
C00035434 (-)-cis-beta-Elemene 90.32
C00036271 (-)-beta-Elemene 90.32
C00003162 Longifolene
Longifolene aldehyde		 87.88
C00012749 (+)-beta-Costol
(+)-Costol
beta-Costol
Sesquibenihiol
Eudesma-4(14),11(13)-dien-12-ol
[2R-(2alpha,4aalpha,8abeta)]-Decahydro-4a-methyl-b,8-bis(methylene)-2-naphthaleneethanol		 87.88
C00012750 (+)-Costal
Costic aldehyde
(+)-beta-Costal
Eudesma-4(14),11(13)-dien-12-al		 87.88
C00021329 Longicyclene 87.88
C00011559 beta-Monocyclonerolidol 87.50
C00011714 Preisocalamendiol
Preisocalamenediol		 87.50
C00012018 (-)-beta-Elemenal
(-)-Elema-1,3,11(13)-trien-12-al		 87.50
C00012466 (E)-4,4,11-Trimethyl-7-methylene-5-cycloundecen-1-one
1,3(15)-Humuladien-8-one		 87.50
C00021226 4-Aromadendrene 87.50
C00021227 alpha-Gurjunene 87.50
C00021230 (+)-Aromadendrene
Aromadendrene
(+)-Aromadendr-7(15)-ene		 87.50
C00021304 9(15)-Africanene 87.50
C00021720 beta-Cedrene
(+)-beta-Cedrene		 87.50
C00021721 (+)-2,5-Diepi-beta-cedrene 87.50
C00021758 Tricyclovetivene
Zizaene
Khusimene		 87.50
C00021772 (+)-Prezizaene 87.50
C00021773 (-)-Prezizaene 87.50
C00021795 Hirsutene 87.50
C00021825 6-Silphiperfolene 87.50
C00021860 (-)-Sativene
Sativene		 87.50
C00021871 Ishwarane 87.50
C00024004 (-)-Longifolene 87.50
C00029817 (-)-beta-Longipinene
beta-Longipinene		 87.50
C00035436 (+)-beta-Isolongibornene 87.50
C00035723 Panaginsene 87.50
C00035811 beta-Funebrene
(-)-beta-Funebrene		 87.50
C00036797 beta-Duprezianene
(+)-beta-Duprezianene		 87.50
C00037346 Isosativene 87.50
C00038071 (+)-alpha-Gurjunene 87.50
C00044034 (+)-beta-Microbiotene 87.50
C00046096 Luzonensin 87.50
C00007635 CID is old! 87.10
C00010418 1,4,8-Tribromo-3,7-dichloro-3,7-dimethyl-1,5-octadiene 87.10
C00010448 4-Bromo-5-bromomethyl-2,5-dichloro-1-chloroethenyl-1-methylcyclohexane 87.10
C00012012 (-)-gamma-Elemene
gamma-Elemene		 87.10
C00012454 gamma-Humulene
Isohumulene		 87.10
C00012455 beta-Humulene 87.10
C00012471 (+)-9-epi-beta-Caryophyllene
9-epi-(E)-Caryophyllene		 87.10
C00012474 Isocaryophyllene
(-)-Isocaryophyllene
(Z)-Caryophyllene
gamma-Caryophyllen
cis-Caryophyllene		 87.10
C00012518 delta-Cuprenene
(-)-delta-Cuprenene
[R-(R*,S*)]-3-Methylene-6-(1,2,2-trimethylcyclopentyl)cyclohexene		 87.10
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		 87.10
C00012710 5beta,10alpha-Eudesma-3,11-diene 87.10
C00012711 [2R-(2alpha,4aalpha,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethenyl)naphthalene 87.10
C00012714 Selina-4(14),7(11)-diene
Eudesma-4(14),7(11)-diene
(4aR-trans)-Decahydro-4a-methyl-1-methylene-7-(1-methylethylidene)naphthalene		 87.10
C00012775 (4aR-trans)-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-1-methylene-7-(1-methylethylidene)naphthalene 87.10
C00016965 (+)-beta-Gorgonene
beta-Gorgonen
beta-Gorgonene		 87.10
C00017518 1,2,3,4,4a,5,6,7-Octahydro-4a,5-Dimethyl-2-(1-methylethenyl)naphthalene 87.10
C00020044 (-)-epsilon-Bulgarene 87.10
C00021308 beta-Himachalene 87.10
C00021310 gamma-Himachalene 87.10
C00021904 trans-beta-Bergamotene 87.10
C00021907 Cascarilladiene 87.10
C00029559 (+)-5-epi-Aristolochene
5-epi-Aristolochene
(+)-Epiaristolochene		 87.10
C00034861 Isobazzanene 87.10
C00034891 (+)-Sandvicene
Sandvicene		 87.10
C00035435 (-)-Perfora-1,7-diene 87.10
C00035606 epi-beta-Santalene 87.10
C00035724 Panaxene 87.10
C00036276 (-)-Eudesma-2,4(15)-11-triene 87.10
C00036286 (-)-Pacifigorgia-1(9),10-diene 87.10
C00036299 (+)-Amorpha-4,11-diene 87.10
C00036712 alpha-Cuprenene 87.10
C00037222 Guaiane 87.10
C00038113 1,4,8-Tribromo-3,7-dichloro-3,7-dimethyl-1E,5E-octadiene 87.10
C00044028 (-)-Eudesma-1,4(15),11-triene 87.10
C00044032 (+)-beta-Caryophyllene 87.10
Page Top