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


and

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





INPUT WORD = C00001296 , 50% or more
[ Metabolite Name : Thiarubrine B ]
Number of matched data : 70

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021973 alpha-Duprezianene 81.25
C00001295 Thiarubrine A 78.13
C00007453 beta-Elemene
Cyclohexane
78.13
C00011446 [2S-[2alpha,5alpha(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran 78.13
C00011447 [2S-[2alpha,5beta(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran 78.13
C00011965 Sesquicarene
[1R-(1a,6a,7a)]-3,7-Dimethyl-7-(4-methyl-3-pentenyl)-bicyclo[4.1.0]hept-2-ene
78.13
C00012454 gamma-Humulene
Isohumulene
78.13
C00012470 (E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Rudbeckianone
78.13
C00021578 beta-Alaskene 78.13
C00035435 (-)-Perfora-1,7-diene 78.13
C00036797 beta-Duprezianene
(+)-beta-Duprezianene
78.13
C00038313 7,8-Dehydro-alpha-acoradiene 78.13
C00044034 (+)-beta-Microbiotene 78.13
C00050318 2-Dehydrococcinelline
(+)-2-Dehydrococcinelline
78.13
C00011632 [1S-(E)]-4-(1,5-Dimethyl-4-hexenylidene)-1-methyl-7-oxabicyclo[4.1.0]heptane 75.76
C00012443 Humulene epoxide
Humulene oxide
alpha-Humulene oxide
Humulene I epoxide
Humulene epoxide I
Humulene monoxide
Humulene oxide I
75.76
C00012445 Humulene epoxide III
Humulene oxide III
75.76
C00012503 (+)-Bicyclohumulenone
Bicyclohumulenone
[1S-(1R*,5E,10R*)]-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one
75.76
C00001265 n-Pentadecane
Pentadecane
75.00
C00001286 Ichthyotherol 75.00
C00003147 alpha-Caryophyllene (obsol.)
alpha-Caryophyllene
alpha-Humulene
Humulene
(+/-)-alpha-Humulene
75.00
C00003181 beta-Santalene 75.00
C00010457 Violacene 75.00
C00011448 (E,E,E)-3-(4,8-Dimethyl-2,4,6-nonatrienyl)-furan
(2E,4E,6E)-Dehydrodendrolasin
Dehydrodendrolasin
75.00
C00011714 Preisocalamendiol
Preisocalamenediol
75.00
C00011722 beta-Germacrene C
(E,E)-1-Methyl-7-methylene-4-(1-methylethyl)-1,3-cyclodecadiene
75.00
C00011728 Germacrone
(E,E)-Germacrone
Germacron
75.00
C00012465 (E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
gamma-Humulen-9-one
75.00
C00012574 cis-1-(1,2-Dimethyl-3-methylenecyclopentyl)-4-methyl-1,3-cyclohexadiene
Dihydrolaurene
75.00
C00013215 Dehydrochamecynenol
(-)-Dehydrochamecynenol
[4aS-(4aalpha,7alpha,8aalpha)]-7-Ethynyl-4a,5,6,7,8,8a-hexahydro-4a-methyl-1-naphthalenemethanol
75.00
C00015575 (2R-trans)-2-Butyl-5-heptyl-pyrrolidine
(-)-Solenopsis fugax venom
75.00
C00016735 (-)-Acaterin
Acaterin
75.00
C00016975 Eremophilene 75.00
C00017518 1,2,3,4,4a,5,6,7-Octahydro-4a,5-Dimethyl-2-(1-methylethenyl)naphthalene 75.00
C00021228 9-Aromadendrene 75.00
C00021229 allo-Aromadendrene
L-Alloaromadendrene
Alloaromadendrene
75.00
C00021304 9(15)-Africanene 75.00
C00021308 beta-Himachalene 75.00
C00021309 alpha-Himachalene 75.00
C00021580 beta-Acoradiene 75.00
C00021850 alpha-Santalene 75.00
C00021903 trans-alpha-Bergamotene
(Z)-alpha-exo-bergamotol
(-)-exo-alpha-Bergamotene
(E)-alpha-Bergamotene
alpha-trans-Bergamotene
alpha-(E)-Bergamotene
75.00
C00021904 trans-beta-Bergamotene 75.00
C00021986 beta-Neoclovene 75.00
C00022165 (3E,7E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene
(E,E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene
4,8,12-Trimethyl-1,3E,7E,11-tridecatetraene
75.00
C00029817 (-)-beta-Longipinene
beta-Longipinene
75.00
C00029818 beta-Maaliene 75.00
C00029970 cis-alpha-Bergamotene
alpha-cis-bergamotene
75.00
C00030959 Pentadecanal 75.00
C00034741 Valencene 75.00
C00035560 1-Hexadecene
Cetene
75.00
C00035606 epi-beta-Santalene 75.00
C00035639 Hexadecane
n-hexadecane
75.00
C00035643 Hexyl caprylate 75.00
C00035724 Panaxene 75.00
C00035800 allo-Aromadendr-9-ene
9-Alloaromadendrene
75.00
C00035802 alpha-Neocallitropsene
(-)-alpha-Neocallitropsene
75.00
C00036262 2-Pentadecanone 75.00
C00036290 (-)-Tamariscene
Tamariscene
75.00
C00036319 (+)-Tamariscene 75.00
C00036991 Cypera-2,4-diene
(-)-Cypera-2,4-diene
75.00
C00037346 Isosativene 75.00
C00037613 Penienone
(-)-Penienone
75.00
C00038319 7-epi-Sesquithujene 75.00
C00041047 Maali-1,3-diene
(+)-Maali-1,3-diene
75.00
C00044027 (-)-alpha-Microbiotene 75.00
C00045990 Halaminol C
(+)-Halaminol C
75.00
C00048311 alpha-Bergamotene 75.00
C00048814 Phomolide A 75.00
C00048825 Polydactin A 75.00
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