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


and

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




INPUT WORD = C00012454 , 50% or more
[ Metabolite Name : gamma-Humulene , Isohumulene ]
Number of matched data : 69

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003110 beta-Caryophyllene
(E)-beta-Caryophyllene
caryophyllene
Caryophyllene
(E)-Caryophyllene
(-)-(E)-Caryophyllene
trans-Caryophyllene
trans-beta-Caryophyllene		 96.77
C00012471 (+)-9-epi-beta-Caryophyllene
9-epi-(E)-Caryophyllene		 96.77
C00012474 Isocaryophyllene
(-)-Isocaryophyllene
(Z)-Caryophyllene
gamma-Caryophyllen
cis-Caryophyllene		 96.77
C00044032 (+)-beta-Caryophyllene 96.77
C00003147 alpha-Caryophyllene (obsol.)
alpha-Caryophyllene
alpha-Humulene
Humulene
(+/-)-alpha-Humulene		 96.67
C00012470 (E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Rudbeckianone		 96.67
C00012464 (+)-Humulenol I
Humulenol I		 93.75
C00012465 (E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
gamma-Humulen-9-one		 93.75
C00021459 delta6-Protoilludene 93.75
C00030187 (-)-Ledene
ent-Ledene
(-)-Leden		 93.75
C00011421 Fokienol
(E,E)-3,7,11-trimethyl-1,6,9,11-Dodecatetraen-3-ol		 93.55
C00012425 (+)-Bicyclogermacrene
Bicyclogermacren
Bicyclogermacrene
Biclyclogermacrene		 93.55
C00020380 Sclerosporene 93.55
C00021308 beta-Himachalene 93.55
C00036272 (-)-Bicyclogermacrene
ent-Bicyclogermacrene		 93.55
C00037322 Isobicyclogermacrene
(+)-Isobicyclogermacrene		 93.55
C00003131 E-beta-farnesene
trans-beta-Farnesene
(E)-beta-Farnesene
beta-Farnesene
(E)-beta-Famesene
beta-trans-Farnesene		 93.33
C00011411 2,6,10-Trimethyldodecane
Farnesane		 93.33
C00012423 (-)-Noranthoplone
Noranthoplone		 93.33
C00012455 beta-Humulene 93.33
C00029350 cis-beta-Farnesene
(Z)-Farnesene
(Z)-beta-Farnesene
beta-cis-Farnesene
Z-beta-Farnesene		 93.33
C00048434 Isogermacrene D
(-)-Isogermacrene D		 93.33
C00012438 (-)-Lepidoza-1(10),4(14)-dien-5-ol
Lepidoza-1(10),4(14)-dien-5-ol		 90.91
C00012443 Humulene epoxide
Humulene oxide
alpha-Humulene oxide
Humulene I epoxide
Humulene epoxide I
Humulene monoxide
Humulene oxide I		 90.91
C00012480 [1S-(1R*,2S*,5E,9S*)]- 6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 90.91
C00012481 [1S-(1R*,2R*,5E,9S*)]-6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 90.91
C00012488 Buddledin C 90.91
C00012489 Buddledin D 90.91
C00049072 1-Himachalen-4beta-ol
(+)-1-Himachalen-4beta-ol		 90.91
C00012466 (E)-4,4,11-Trimethyl-7-methylene-5-cycloundecen-1-one
1,3(15)-Humuladien-8-one		 90.63
C00012467 Zerumbone 90.63
C00016958 gamma-Maaliene 90.63
C00021220 Viridiflorene
Ledene
Ledene Oxide		 90.63
C00021230 (+)-Aromadendrene
Aromadendrene
(+)-Aromadendr-7(15)-ene		 90.63
C00021833 beta-Panasinsene
beta-Panasinsanene		 90.63
C00029395 14-Hydroxy-alpha-humulene 90.63
C00029817 (-)-beta-Longipinene
beta-Longipinene		 90.63
C00035723 Panaginsene 90.63
C00037332 Isoledene
(-)-Isoledene		 90.63
C00003166 Nerolidol 90.32
C00003186 beta-Eudesmene
beta-Selinene		 90.32
C00003189 beta-Sinensal
FEMA 3141		 90.32
C00011410 3,7,11-Trimethyl-6,10-dodecadien-1-ol
2,3-Dihydro-(E)-6-farnesol
2,3-Dihydro-6-trans-farnesol
DL-2,3-Dihydro-6-trans-farnesol		 90.32
C00011420 (E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Brickelliol		 90.32
C00011971 Bicycloelemene
(-)-Bicycloelemene
3-Ethenyl-3,7,7-trimethyl-2-(1-methylethenyl)bicyclo[4.1.0]heptane		 90.32
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		 90.32
C00012710 5beta,10alpha-Eudesma-3,11-diene 90.32
C00012711 [2R-(2alpha,4aalpha,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethenyl)naphthalene 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
C00016965 (+)-beta-Gorgonene
beta-Gorgonen
beta-Gorgonene		 90.32
C00020044 (-)-epsilon-Bulgarene 90.32
C00020377 alpha-Guaiene
Guaia-1(5),11-diene		 90.32
C00020382 2,3,3a,4,5,6-hexahydro-1,4-dimethyl-7-(1-methylethyl)azulene 90.32
C00029339 (6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol
(E)-Nerolidol
E-Nerolidol
trans-Nerolidol		 90.32
C00029672 (-)-alpha-Selinene
alpha-Selinene		 90.32
C00030189 epi-alpha-Selinene 90.32
C00034757 cis-Nerolidol
(Z)-Nerolidol		 90.32
C00035435 (-)-Perfora-1,7-diene 90.32
C00035724 Panaxene 90.32
C00036276 (-)-Eudesma-2,4(15)-11-triene 90.32
C00036288 (-)-Selina-4-11-diene 90.32
C00036298 (+)-alpha-Selinene 90.32
C00037126 Eudesma-4,11-diene
(+)-Selina-4,11-diene
Selina-4,11-diene		 90.32
C00037222 Guaiane 90.32
C00045534 2,3-Dihydrofarnesol 90.32
C00048297 7-epi-alpha-Selinene 90.32
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