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


and

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




INPUT WORD = C00035440 , 50% or more
[ Metabolite Name : cis-alpha-Bisabolene , (Z)-alpha-bisabolene , (Z)-alpha-Bisabolene epoxide ]
Number of matched data : 90

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00050259 trans-alpha-Bisabolene 100.00
C00007632 (E)-alpha-Bisabolene 96.67
C00011967 Sesquithujene 93.55
C00007242 beta-Bisabolene
(S)-beta-Bisabolene
(-)-beta-Bisabolene
l-beta-Bisabolene
1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene		 93.33
C00011634 Isobisabolene 93.33
C00011642 (+)-alpha-Atlantone
(E)-alpha-Atlantone		 90.63
C00011644 (Z)-alpha-Atlantone
[R-(Z)]-2-Methyl-6-(4-methyl-3-cyclohexen-1-yl)-2,5-heptadien-4-one		 90.63
C00003106 beta-Cadinene 90.32
C00011965 Sesquicarene
[1R-(1a,6a,7a)]-3,7-Dimethyl-7-(4-methyl-3-pentenyl)-bicyclo[4.1.0]hept-2-ene		 90.32
C00011966 Sesquisabinene
Sesquisabinene A		 90.32
C00012712 (R)-1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-(1-methylethylidene)naphthalene
(+)-Selin-4,7(11)-diene
(+)-Selina-4,7(11)-diene
4,7(11)-Eudesmadiene		 90.32
C00020052 gamma1-Cadinene 90.32
C00021582 alpha-Acoradiene
(-)-alpha-Acoradiene		 90.32
C00021904 trans-beta-Bergamotene 90.32
C00032470 Valerena-4,7(11)-diene
(-)-Valerena-4,7(11)-diene		 90.32
C00035520 alpha-Amorphene 90.32
C00035606 epi-beta-Santalene 90.32
C00003134 Germacrene B
germacrene-B		 90.00
C00011414 (E,E,E)-3,7,11-trimethyl-2,4,6,10-Dodecatetraene 90.00
C00011415 (E,E,Z)-3,7,11-trimethyl-2,4,6,10-Dodecatetraene 90.00
C00011422 2,6,10-Trimethyl-2,6,10-dodecatriene 90.00
C00011631 E-gamma-Bisabolene
(E)-4-(1,5-Dimethyl-4-hexenylidene)-1-methyl-cyclohexene
(E)-gamma-Bisabolene
trans-gamma-Bisabolene		 90.00
C00011633 (+)-Theonellin
Theonellin		 90.00
C00011722 beta-Germacrene C
(E,E)-1-Methyl-7-methylene-4-(1-methylethyl)-1,3-cyclodecadiene		 90.00
C00036247 (E,Z)-alpha-Farnesene 90.00
C00011969 12-Sesquisabinenal
2-Methyl-6-(4-methylenebicyclo[3.1.0]hex-1-yl)-2-heptenal		 87.88
C00003103 (+)-alpha-Bisabolol 87.50
C00011446 [2S-[2alpha,5alpha(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran 87.50
C00011447 [2S-[2alpha,5beta(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran 87.50
C00011586 [R-(R*,R*)]-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanamine 87.50
C00011587 Aminobisabolene
[S-(R*,S*)]-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanamine		 87.50
C00011606 beta-Bisabolol 87.50
C00011609 alpha-Bisabol-1-one
1-Bisabolone		 87.50
C00011638 (-)-(E)-Lanceol 87.50
C00011640 Curlone
[S-(R*,R*)]-2-Methyl-6-(4-methylene-2-cyclohexen-1-yl)-2-hepten-4-one		 87.50
C00011646 (+)-beta-Atlantone
beta-Atlantone		 87.50
C00011647 (-)-Cryptomerione
(R)-Cryptomerione		 87.50
C00021286 alpha-Patchoulene 87.50
C00021799 Pentalenene 87.50
C00021850 alpha-Santalene 87.50
C00021982 Italicene 87.50
C00029679 alpha-Bisabolol
(-)-Bisabolol		 87.50
C00035098 epi-alpha-Bisabolol
(-)-epi-alpha-Bisabolol		 87.50
C00035439 cis-Lanceol
(S)-(Z)-Lanceol
Z-lanceol		 87.50
C00036614 6-epi-alpha-Cubebene
(+)-6-epi-alpha-Cubebene		 87.50
C00042021 (Z)-Lanceol 87.50
C00003115 alpha-Chamigrene 87.10
C00003116 beta-Chamigrene 87.10
C00003132 trans,trans-Farnesol
Farnesol		 87.10
C00003181 beta-Santalene 87.10
C00012517 [R-(R*,S*)]-2-Methyl-5-(1,2,2-trimethylcyclopentyl)-1,3-cyclohexadiene 87.10
C00012518 delta-Cuprenene
(-)-delta-Cuprenene
[R-(R*,S*)]-3-Methylene-6-(1,2,2-trimethylcyclopentyl)cyclohexene		 87.10
C00012528 Cuprenene
2-Cuprenene
Cuprenene 2
Cuprenene III		 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
C00017520 Amorpha-4,11-diene
(-)-Amorpha-4,11-diene
4,11-Amorphadiene
Amorphadiene		 87.10
C00020041 beta1-Bulgarene
4,9-Bulgaradiene		 87.10
C00020044 (-)-epsilon-Bulgarene 87.10
C00020048 omega-Cadinene
1(10),3-Cadinadiene		 87.10
C00020049 gamma2-Cadinene
3,10(14)-Cadinadiene		 87.10
C00020051 alpha-Cadinene 87.10
C00020380 Sclerosporene 87.10
C00020384 6,9-Guaiadiene 87.10
C00021293 Anhydrovalerenenol 87.10
C00021309 alpha-Himachalene 87.10
C00021310 gamma-Himachalene 87.10
C00021577 delta-Acoradiene 87.10
C00021578 beta-Alaskene 87.10
C00021580 beta-Acoradiene 87.10
C00021581 gamma-Acoradiene
(-)-alpha-Alaskene		 87.10
C00021583 4(15),5-Acoradiene 87.10
C00021952 Isowiddrene
alpha-Pseudowiddrene		 87.10
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		 87.10
C00029671 alpha-Muurolene 87.10
C00030246 Farnesal 87.10
C00030345 gamma-Cadinene 87.10
C00030434 Guaia-6,9-diene
(+)-Guaia-6,9-diene		 87.10
C00034408 CID is old! 87.10
C00034861 Isobazzanene 87.10
C00035091 (E,E)-Farnesal
E,E-Farnesal
trans,trans-Farnesal		 87.10
C00035092 trans-Farnesol
E,E-Farnesol
(2E,6E)-Farnesol		 87.10
C00035435 (-)-Perfora-1,7-diene 87.10
C00035802 alpha-Neocallitropsene
(-)-alpha-Neocallitropsene		 87.10
C00035828 gamma-Amorphene
(+)-gamma-Amorphene		 87.10
C00036269 (-)-Amorpha-4,7(11)-diene 87.10
C00036278 (-)-gamma-Cadinene 87.10
C00036286 (-)-Pacifigorgia-1(9),10-diene 87.10
C00036316 (+)-Pacifigorgia-1(6),10-diene 87.10
C00038319 7-epi-Sesquithujene 87.10
C00044405 (2E)-Farnesylamine 87.10
C00044406 (2Z)-Farnesylamine 87.10
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