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


and

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





INPUT WORD = C00036063 , 50% or more
[ Metabolite Name : Buddledone A ]
Number of matched data : 72

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012459 (Z,E,E)-5,8,8-Trimethyl-1,5,9-cycloundecatriene-1-carboxaldehyde
alpha-Humulen-14-al
96.88
C00012463 (+)-Humulenol II
Humulenol
Humulenol II
96.88
C00012466 (E)-4,4,11-Trimethyl-7-methylene-5-cycloundecen-1-one
1,3(15)-Humuladien-8-one
96.88
C00012467 Zerumbone 96.88
C00031538 2,9-Humuladien-6-ol-8-one
(-)-2,9-Humuladien-6-ol-8-one
94.12
C00003145 Himachalol 93.94
C00012503 (+)-Bicyclohumulenone
Bicyclohumulenone
[1S-(1R*,5E,10R*)]-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one
93.94
C00021899 Allohimachalol 93.94
C00021901 4-Ambiguen-1-ol 93.94
C00011723 Agerol 93.75
C00012455 beta-Humulene 93.75
C00012465 (E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
gamma-Humulen-9-one
93.75
C00021226 4-Aromadendrene 93.75
C00021227 alpha-Gurjunene 93.75
C00021982 Italicene 93.75
C00029395 14-Hydroxy-alpha-humulene 93.75
C00038071 (+)-alpha-Gurjunene 93.75
C00020096 9,10-Epoxy-4-muurolene 91.18
C00021724 beta-Isobiotol 91.18
C00022019 Vulgarone A 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
C00038073 (+)-Aromadendr-4-en-12-ol 91.18
C00003109 Carotol 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
C00012472 14-Hydroxy-9-epi-(beta)-caryophyllene
14-Hydroxy-9-epi-beta-caryophyllene
90.91
C00012488 Buddledin C 90.91
C00012489 Buddledin D 90.91
C00012740 Cyperol 90.91
C00012743 (+)-gamma-Costal
gamma-Costal
Iso-beta-costal
(2R-cis)- 1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetaldehyde
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
C00021311 alpha-Torosol 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
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
C00011608 Dihydro-beta-atlantone 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
C00012464 (+)-Humulenol I
Humulenol I
90.63
C00016958 gamma-Maaliene 90.63
C00021230 (+)-Aromadendrene
Aromadendrene
(+)-Aromadendr-7(15)-ene
90.63
C00021308 beta-Himachalene 90.63
C00021309 alpha-Himachalene 90.63
C00021310 gamma-Himachalene 90.63
C00021476 1-Sterpurene 90.63
C00021720 beta-Cedrene
(+)-beta-Cedrene
90.63
C00021721 (+)-2,5-Diepi-beta-cedrene 90.63
C00021833 beta-Panasinsene
beta-Panasinsanene
90.63
C00022495 10-Oxo-10,11H-beta-bisabolene 90.63
C00029817 (-)-beta-Longipinene
beta-Longipinene
90.63
C00029818 beta-Maaliene 90.63
C00035627 Ginsinsene 90.63
C00035723 Panaginsene 90.63
C00036272 (-)-Bicyclogermacrene
ent-Bicyclogermacrene
90.63
C00036299 (+)-Amorpha-4,11-diene 90.63
C00036614 6-epi-alpha-Cubebene
(+)-6-epi-alpha-Cubebene
90.63
C00036712 alpha-Cuprenene 90.63
C00037322 Isobicyclogermacrene
(+)-Isobicyclogermacrene
90.63
C00037332 Isoledene
(-)-Isoledene
90.63
C00050151 Madolin C 90.63
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