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


and

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




INPUT WORD = C00012465 , 50% or more
[ Metabolite Name : (E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one , gamma-Humulen-9-one ]
Number of matched data : 69

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012488 Buddledin C 96.97
C00012489 Buddledin D 96.97
C00012466 (E)-4,4,11-Trimethyl-7-methylene-5-cycloundecen-1-one
1,3(15)-Humuladien-8-one		 96.88
C00012467 Zerumbone 96.88
C00012480 [1S-(1R*,2S*,5E,9S*)]- 6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 93.94
C00012481 [1S-(1R*,2R*,5E,9S*)]-6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 93.94
C00049072 1-Himachalen-4beta-ol
(+)-1-Himachalen-4beta-ol		 93.94
C00003110 beta-Caryophyllene
(E)-beta-Caryophyllene
caryophyllene
Caryophyllene
(E)-Caryophyllene
(-)-(E)-Caryophyllene
trans-Caryophyllene
trans-beta-Caryophyllene		 93.75
C00011723 Agerol 93.75
C00011726 4(15),5E,10(14)-Germacratrien-1-one 93.75
C00012454 gamma-Humulene
Isohumulene		 93.75
C00012471 (+)-9-epi-beta-Caryophyllene
9-epi-(E)-Caryophyllene		 93.75
C00012474 Isocaryophyllene
(-)-Isocaryophyllene
(Z)-Caryophyllene
gamma-Caryophyllen
cis-Caryophyllene		 93.75
C00021459 delta6-Protoilludene 93.75
C00029395 14-Hydroxy-alpha-humulene 93.75
C00030187 (-)-Ledene
ent-Ledene
(-)-Leden		 93.75
C00036063 Buddledone A 93.75
C00044032 (+)-beta-Caryophyllene 93.75
C00012487 Buddledin B 91.43
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		 91.18
C00021239 Squamulosone 91.18
C00036326 (1R,10R)-Aromadendran-9-one 91.18
C00036333 (1S,10S)-9alpha-Hydroxy-allo-aromadendrane 91.18
C00036334 (1S,10S)-allo-Aromadendran-9-one 91.18
C00011397 8-Oxonerolidol 90.91
C00011417 3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol 90.91
C00012424 [1R-(1R*,2E,6E,10S*,11S*)]-3,7,11-Trimethylbicyclo[8.1.0]undeca-2,6-diene-11-carboxaldehyde
13-Bicyclogermacrenal		 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
C00012472 14-Hydroxy-9-epi-(beta)-caryophyllene
14-Hydroxy-9-epi-beta-caryophyllene		 90.91
C00012804 Eudesm-4(15)-en-5-ol
[3R-(3alpha,4abeta,8aalpha)]-Octahydro-8a-methyl-5-methylene-3-(1-methylethyl)-4a(2H)-naphthalenol		 90.91
C00012819 Eudesm-4(14)-en-9-one 90.91
C00021294 Valerenol 90.91
C00021295 Valerenal 90.91
C00021297 10-Epivalerenal 90.91
C00029912 Caryophylladienol I 90.91
C00029913 Caryophylla-4(12),8(13)-dien-5beta-ol
Caryophylladienol II
Caryophylla-4(12),8(13)-dien-5alpha-ol		 90.91
C00036062 Buddledin E 90.91
C00036277 (-)-Eudesma-3,11-dien-5-ol 90.91
C00036292 (-)-trans-Selina-4(15),11-dien-5-ol 90.91
C00046149 Millecrone A 90.91
C00046584 4,5-Dihydro-beta-caryophyllene-14-al
(-)-4,5-Dihydro-beta-caryophyllene-14-al		 90.91
C00048351 Caryophylla-4(14),8(15)-dien-5alpha-ol 90.91
C00003147 alpha-Caryophyllene (obsol.)
alpha-Caryophyllene
alpha-Humulene
Humulene
(+/-)-alpha-Humulene		 90.63
C00003189 beta-Sinensal
FEMA 3141		 90.63
C00011421 Fokienol
(E,E)-3,7,11-trimethyl-1,6,9,11-Dodecatetraen-3-ol		 90.63
C00011446 [2S-[2alpha,5alpha(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran 90.63
C00011447 [2S-[2alpha,5beta(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran 90.63
C00011584 Striatenone 90.63
C00011715 Periplanone C
Periplanone D1		 90.63
C00011716 (-)-Periplanone D
Periplanone D
Periplanone D2		 90.63
C00011724 4(15),5E,10(14)-Germacratrien-1alpha-ol 90.63
C00012013 [1S-(1alpha,2beta,3alpha,5alpha)]-2-Ethenyl-2-methyl-3,5-bis(1-methylethenyl)-cyclohexanol 90.63
C00012425 (+)-Bicyclogermacrene
Bicyclogermacren
Bicyclogermacrene
Biclyclogermacrene		 90.63
C00012459 (Z,E,E)-5,8,8-Trimethyl-1,5,9-cycloundecatriene-1-carboxaldehyde
alpha-Humulen-14-al		 90.63
C00012463 (+)-Humulenol II
Humulenol
Humulenol II		 90.63
C00012470 (E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Rudbeckianone		 90.63
C00016958 gamma-Maaliene 90.63
C00020380 Sclerosporene 90.63
C00021220 Viridiflorene
Ledene
Ledene Oxide		 90.63
C00021230 (+)-Aromadendrene
Aromadendrene
(+)-Aromadendr-7(15)-ene		 90.63
C00021308 beta-Himachalene 90.63
C00021833 beta-Panasinsene
beta-Panasinsanene		 90.63
C00029817 (-)-beta-Longipinene
beta-Longipinene		 90.63
C00035723 Panaginsene 90.63
C00036272 (-)-Bicyclogermacrene
ent-Bicyclogermacrene		 90.63
C00037322 Isobicyclogermacrene
(+)-Isobicyclogermacrene		 90.63
C00037332 Isoledene
(-)-Isoledene		 90.63
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