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


and

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




INPUT WORD = C00012445 , 50% or more
[ Metabolite Name : Humulene epoxide III , Humulene oxide III ]
Number of matched data : 97

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012424 [1R-(1R*,2E,6E,10S*,11S*)]-3,7,11-Trimethylbicyclo[8.1.0]undeca-2,6-diene-11-carboxaldehyde
13-Bicyclogermacrenal		 93.94
C00029395 14-Hydroxy-alpha-humulene 93.94
C00049072 1-Himachalen-4beta-ol
(+)-1-Himachalen-4beta-ol		 93.94
C00003145 Himachalol 90.91
C00003147 alpha-Caryophyllene (obsol.)
alpha-Caryophyllene
alpha-Humulene
Humulene
(+/-)-alpha-Humulene		 90.91
C00011728 Germacrone
(E,E)-Germacrone
Germacron		 90.91
C00011730 [S-(E)]-4-Methyl-10-methylene-7-(1-methylethenyl)-4-cyclodecen-1-one 90.91
C00012425 (+)-Bicyclogermacrene
Bicyclogermacren
Bicyclogermacrene
Biclyclogermacrene		 90.91
C00012432 (-)-Isobicyclogermacrenal 90.91
C00012433 (-)-Lepidozienal
Lepidozenal
Lepidozienal		 90.91
C00012443 Humulene epoxide
Humulene oxide
alpha-Humulene oxide
Humulene I epoxide
Humulene epoxide I
Humulene monoxide
Humulene oxide I		 90.91
C00012467 Zerumbone 90.91
C00012488 Buddledin C 90.91
C00012489 Buddledin D 90.91
C00012805 (+)-Junenol
Eudesm-4(14)-en-6alpha-ol
[1S-(1alpha,2beta,4abeta,8aalpha)]-Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenol		 90.91
C00012807 Laevojunenol
Levojuneno
l-Junenol
[1R-(1alpha,2beta,4abeta,8aalpha)]-Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenol		 90.91
C00021308 beta-Himachalene 90.91
C00021899 Allohimachalol 90.91
C00036272 (-)-Bicyclogermacrene
ent-Bicyclogermacrene		 90.91
C00037125 Eudesm-4(15)-en-7-ol
(+)-Eudesm-4(15)-en-7alpha-ol		 90.91
C00037322 Isobicyclogermacrene
(+)-Isobicyclogermacrene		 90.91
C00012462 (1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Lychnocolumnic acid
9beta,10alpha-Epoxy-2,6-humuladien-14-carboxylic acid		 89.19
C00012379 [3R-(3R*,3aR*,5E,9E,11aS*)]-3a,4,7,8,11,11a-Hexahydro-3,6,10-trimethylcyclodeca[b]furan-2(3H)-one 88.57
C00012380 Inunolide 88.57
C00012381 Dihydroinunolide
[3S-(3R*,3aS*,5E,9E,11aS*)]-3a,4,7,8,11,11a-hexahydro-3,6,10-trimethylcyclodeca[b]furan-2(3H)-one		 88.57
C00012487 Buddledin B 88.57
C00022013 1,5,8,8-Tetramethyl-8-bicyclo[8.1.0]undecene-2,9-diol 88.57
C00033146 Madolin K
(+)-Madolin K		 88.57
C00045857 Dihydromadolin K
(+)-Dihydromadolin K		 88.57
C00046110 Madolin W 88.57
C00011729 13-Hydroxygermacrone
(E,E,E)-10-(2-Hydroxy-1-methylethylidene)-3,7-dimethyl-3,7-cyclodecadien-1-one		 88.24
C00011731 Curdione
(+)-Curdione
(+)-Germacr-1(10)-ene-5,8-dione		 88.24
C00011735 (E,E,E)-2-(4,8-Dimethyl-10-oxo-3,7-cyclodecadien-1-ylidene)-propanal 88.24
C00012422 [1alpha,3beta(E)]-(+-)- 2,2-Dimethyl-3-(3-methyl-7-oxo-3-octenyl)cyclopropanecarboxaldehyde
Anthroplalone		 88.24
C00012473 [1S-(1R*,2S*,5E,9S*)]- 6,10,10-Trimethyl-spiro[bicyclo[7.2.0]undec-5-ene-2,2'-oxirane]
3',15-Epoxy-6-caryophyllene		 88.24
C00021306 Oxidohimachalene
Himachalene oxide		 88.24
C00021985 Myltaylenol
(-)-Myltaylenol		 88.24
C00030809 Neocurdione 88.24
C00037527 CID is old! 88.24
C00038073 (+)-Aromadendr-4-en-12-ol 88.24
C00038273 4,5-Dehydroviridiflorol
(+)-4,5-Dehydroviridiflorol		 88.24
C00044887 Litseahumulane B
(-)-Litseahumulane B		 88.24
C00045981 Guatterin A
(-)-Guatterin A		 88.24
C00000163 alpha-Eudesmol 87.88
C00003109 Carotol 87.88
C00003110 beta-Caryophyllene
(E)-beta-Caryophyllene
caryophyllene
Caryophyllene
(E)-Caryophyllene
(-)-(E)-Caryophyllene
trans-Caryophyllene
trans-beta-Caryophyllene		 87.88
C00011420 (E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Brickelliol		 87.88
C00011426 2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol 87.88
C00011605 Laggerol 87.88
C00011608 Dihydro-beta-atlantone 87.88
C00011723 Agerol 87.88
C00012431 (+)-Isobicyclogermacrenal 87.88
C00012437 (-)-Lepidozenol
Lepidozenol		 87.88
C00012438 (-)-Lepidoza-1(10),4(14)-dien-5-ol
Lepidoza-1(10),4(14)-dien-5-ol		 87.88
C00012444 Humulene 1,2-epoxide
Humulene epoxide II
(-)-Humulene epoxide II
Humulene 6,7-epoxide
Humulene II epoxide
Humulene oxide II		 87.88
C00012454 gamma-Humulene
Isohumulene		 87.88
C00012455 beta-Humulene 87.88
C00012459 (Z,E,E)-5,8,8-Trimethyl-1,5,9-cycloundecatriene-1-carboxaldehyde
alpha-Humulen-14-al		 87.88
C00012463 (+)-Humulenol II
Humulenol
Humulenol II		 87.88
C00012464 (+)-Humulenol I
Humulenol I		 87.88
C00012465 (E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
gamma-Humulen-9-one		 87.88
C00012471 (+)-9-epi-beta-Caryophyllene
9-epi-(E)-Caryophyllene		 87.88
C00012474 Isocaryophyllene
(-)-Isocaryophyllene
(Z)-Caryophyllene
gamma-Caryophyllen
cis-Caryophyllene		 87.88
C00012480 [1S-(1R*,2S*,5E,9S*)]- 6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 87.88
C00012481 [1S-(1R*,2R*,5E,9S*)]-6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 87.88
C00012503 (+)-Bicyclohumulenone
Bicyclohumulenone
[1S-(1R*,5E,10R*)]-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one		 87.88
C00012739 (R)-3,4,6,7,8,8a-Hexahydro-5,8a-dimethyl-3-(1-methylethylidene)-2(1H)-nphthalenone 87.88
C00012801 alpha-Verbesinol
[1R-(1alph,2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenol		 87.88
C00012802 Isoacolamone
[2S-(2alpha,4aalpha,8abeta)]-3,4,4a,5,6,8a-Hexahydro-4a,8-dimethyl-2-(1-methylethyl)-1(2H)-naphthalenone		 87.88
C00012808 beta-Verbesinol
[1R-(1alpha,2alpha,4aalpha,8abeta)]-Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenol		 87.88
C00016989 Eremophilone
Eremophila-1(10),11-dien-9-one		 87.88
C00020160 1,2,8,8a-Tetrahydro-4,6-dimethyl-1-(1-methylethyl)-2-naphthalenol 87.88
C00021204 1(10),4-Aromadendradiene 87.88
C00021226 4-Aromadendrene 87.88
C00021227 alpha-Gurjunene 87.88
C00021294 Valerenol 87.88
C00021295 Valerenal 87.88
C00021297 10-Epivalerenal 87.88
C00021459 delta6-Protoilludene 87.88
C00021901 4-Ambiguen-1-ol 87.88
C00021902 Bazzanenol 87.88
C00021982 Italicene 87.88
C00022495 10-Oxo-10,11H-beta-bisabolene 87.88
C00029339 (6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol
(E)-Nerolidol
E-Nerolidol
trans-Nerolidol		 87.88
C00029681 Amorph-4-en-7-ol 87.88
C00030187 (-)-Ledene
ent-Ledene
(-)-Leden		 87.88
C00033724 cis-Cadin-4-en-7-ol 87.88
C00034757 cis-Nerolidol
(Z)-Nerolidol		 87.88
C00036061 Blepharostol
(+)-Blepharostol		 87.88
C00036062 Buddledin E 87.88
C00036063 Buddledone A 87.88
C00038047 (-)-7-epi-Isojunenol 87.88
C00038069 (+)-7-epi-Junenol 87.88
C00038071 (+)-alpha-Gurjunene 87.88
C00044032 (+)-beta-Caryophyllene 87.88
C00048351 Caryophylla-4(14),8(15)-dien-5alpha-ol 87.88
C00049098 7-epi-beta-Eudesmol 87.88
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