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


and

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




INPUT WORD = C00012489 , 50% or more
[ Metabolite Name : Buddledin D ]
Number of matched data : 59

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012488 Buddledin C 100.00
C00012465 (E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
gamma-Humulen-9-one		 96.97
C00012480 [1S-(1R*,2S*,5E,9S*)]- 6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 96.97
C00012481 [1S-(1R*,2R*,5E,9S*)]-6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 96.97
C00012487 Buddledin B 94.29
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		 94.12
C00003110 beta-Caryophyllene
(E)-beta-Caryophyllene
caryophyllene
Caryophyllene
(E)-Caryophyllene
(-)-(E)-Caryophyllene
trans-Caryophyllene
trans-beta-Caryophyllene		 93.94
C00012464 (+)-Humulenol I
Humulenol I		 93.94
C00012466 (E)-4,4,11-Trimethyl-7-methylene-5-cycloundecen-1-one
1,3(15)-Humuladien-8-one		 93.94
C00012467 Zerumbone 93.94
C00012471 (+)-9-epi-beta-Caryophyllene
9-epi-(E)-Caryophyllene		 93.94
C00012472 14-Hydroxy-9-epi-(beta)-caryophyllene
14-Hydroxy-9-epi-beta-caryophyllene		 93.94
C00012474 Isocaryophyllene
(-)-Isocaryophyllene
(Z)-Caryophyllene
gamma-Caryophyllen
cis-Caryophyllene		 93.94
C00023989 Trichoacorenol
(1S,4S,5S,7R)-1-Isopropyl-4,8-dimethylspiro[4.5]dec-8-en-7-ol		 93.94
C00029912 Caryophylladienol I 93.94
C00029913 Caryophylla-4(12),8(13)-dien-5beta-ol
Caryophylladienol II
Caryophylla-4(12),8(13)-dien-5alpha-ol		 93.94
C00036062 Buddledin E 93.94
C00044032 (+)-beta-Caryophyllene 93.94
C00046584 4,5-Dihydro-beta-caryophyllene-14-al
(-)-4,5-Dihydro-beta-caryophyllene-14-al		 93.94
C00048351 Caryophylla-4(14),8(15)-dien-5alpha-ol 93.94
C00011521 Chokol C
(-)-Chokol C		 91.18
C00011522 Chokol D
(-)-Chokol D		 91.18
C00021322 Marsupellol 91.18
C00021835 Panasinsanol B 91.18
C00021836 Panasinsanol A 91.18
C00021969 beta-Caryophyllene alcohol
Caryolan-1-ol		 91.18
C00022017 4,11,11-Trimethyltricyclo[6.3.1.02.5]dodec-6-en-8-ol 91.18
C00043049 Suberosenol A
(-)-Suberosenol A		 91.18
C00044886 Litseahumulane A
(-)-Litseahumulane A		 91.18
C00046939 Suberosanone
(-)-Suberosanone		 91.18
C00046941 Suberosenol B
(-)-Suberosenol B		 91.18
C00003109 Carotol 90.91
C00003183 beta-Santalol
(E)-beta-Santalol		 90.91
C00011397 8-Oxonerolidol 90.91
C00011417 3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol 90.91
C00011968 Sesquisabinene hydrate 90.91
C00011969 12-Sesquisabinenal
2-Methyl-6-(4-methylenebicyclo[3.1.0]hex-1-yl)-2-heptenal		 90.91
C00012443 Humulene epoxide
Humulene oxide
alpha-Humulene oxide
Humulene I epoxide
Humulene epoxide I
Humulene monoxide
Humulene oxide I		 90.91
C00012445 Humulene epoxide III
Humulene oxide III		 90.91
C00012454 gamma-Humulene
Isohumulene		 90.91
C00012478 Caryophyllenol I 90.91
C00012479 Caryophyllenol II 90.91
C00012491 Isokobusone 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
C00016989 Eremophilone
Eremophila-1(10),11-dien-9-one		 90.91
C00020059 10beta,15-Epoxykhusinol
1beta,6alpha,7betaH-Cadina-4,10(15)-dien-3alpha-ol		 90.91
C00021459 delta6-Protoilludene 90.91
C00021584 Shizuka-acoradienol 90.91
C00021833 beta-Panasinsene
beta-Panasinsanene		 90.91
C00029348 (Z)-alpha-trans-Bergamotol 90.91
C00029395 14-Hydroxy-alpha-humulene 90.91
C00035798 Acorenone
(-)-Acorenone		 90.91
C00036063 Buddledone A 90.91
C00036277 (-)-Eudesma-3,11-dien-5-ol 90.91
C00036292 (-)-trans-Selina-4(15),11-dien-5-ol 90.91
C00043753 Nanonorcaryophyllene B
(+)-Nanonorcaryophyllene B		 90.91
C00045355 Muurola-4,10(14)-dien-3-one
(-)-Muurola-4,10(14)-dien-3-one		 90.91
C00046149 Millecrone A 90.91
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