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


and

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




INPUT WORD = C00012473 , 50% or more
[ Metabolite Name : [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 ]
Number of matched data : 59

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012480 [1S-(1R*,2S*,5E,9S*)]- 6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 97.06
C00012481 [1S-(1R*,2R*,5E,9S*)]-6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 97.06
C00012443 Humulene epoxide
Humulene oxide
alpha-Humulene oxide
Humulene I epoxide
Humulene epoxide I
Humulene monoxide
Humulene oxide I		 94.12
C00012488 Buddledin C 94.12
C00012489 Buddledin D 94.12
C00021835 Panasinsanol B 94.12
C00021836 Panasinsanol A 94.12
C00021969 beta-Caryophyllene alcohol
Caryolan-1-ol		 94.12
C00022017 4,11,11-Trimethyltricyclo[6.3.1.02.5]dodec-6-en-8-ol 94.12
C00012487 Buddledin B 91.43
C00046110 Madolin W 91.43
C00000149 Espatulenol
(+)-Spathulenol
Spathulenol		 91.18
C00003110 beta-Caryophyllene
(E)-beta-Caryophyllene
caryophyllene
Caryophyllene
(E)-Caryophyllene
(-)-(E)-Caryophyllene
trans-Caryophyllene
trans-beta-Caryophyllene		 91.18
C00011421 Fokienol
(E,E)-3,7,11-trimethyl-1,6,9,11-Dodecatetraen-3-ol		 91.18
C00011426 2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol 91.18
C00011527 Cyclonerodiol 91.18
C00011711 [1R-(1R*,2E,4R*,7E)]-1,7-Dimethyl-4-(1-methylethyl)-2,7-cyclodecadien-1-ol 91.18
C00011713 (-)-1(10)E,5E-Germacradien-4-ol
[1S-(1R*,2E,4R*,7E)]-1,7-Dimethyl-4-(1-methylethyl)-2,7-cyclodecadien-1-ol
(-)-1(10),5-Germacradien-4-ol		 91.18
C00012422 [1alpha,3beta(E)]-(+-)- 2,2-Dimethyl-3-(3-methyl-7-oxo-3-octenyl)cyclopropanecarboxaldehyde
Anthroplalone		 91.18
C00012432 (-)-Isobicyclogermacrenal 91.18
C00012433 (-)-Lepidozienal
Lepidozenal
Lepidozienal		 91.18
C00012438 (-)-Lepidoza-1(10),4(14)-dien-5-ol
Lepidoza-1(10),4(14)-dien-5-ol		 91.18
C00012464 (+)-Humulenol I
Humulenol I		 91.18
C00012465 (E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
gamma-Humulen-9-one		 91.18
C00012471 (+)-9-epi-beta-Caryophyllene
9-epi-(E)-Caryophyllene		 91.18
C00012472 14-Hydroxy-9-epi-(beta)-caryophyllene
14-Hydroxy-9-epi-beta-caryophyllene		 91.18
C00012474 Isocaryophyllene
(-)-Isocaryophyllene
(Z)-Caryophyllene
gamma-Caryophyllen
cis-Caryophyllene		 91.18
C00012482 Caryophyllane 2,6-beta-oxide 91.18
C00012490 5-Hydroxy-5,6-secocaryophyllen-6-one 91.18
C00016959 (+)-Maaliol
Maaliol
Maali alcohol		 91.18
C00020378 Epoxyguaiene
1alpha,5alpha-Epoxy-alpha-guaiene		 91.18
C00021236 Isosparthulenol
Isospathulenol		 91.18
C00021302 Leptographiol 91.18
C00021303 Isoleptographiol 91.18
C00029912 Caryophylladienol I 91.18
C00029913 Caryophylla-4(12),8(13)-dien-5beta-ol
Caryophylladienol II
Caryophylla-4(12),8(13)-dien-5alpha-ol		 91.18
C00031765 (-)-ent-Spathulenol
beta-Spathulenol
ent-Spathulenol
(-)-Spathulenol		 91.18
C00035302 ent-4-epi-Maaliol 91.18
C00036062 Buddledin E 91.18
C00044032 (+)-beta-Caryophyllene 91.18
C00046584 4,5-Dihydro-beta-caryophyllene-14-al
(-)-4,5-Dihydro-beta-caryophyllene-14-al		 91.18
C00047290 Lignoren 91.18
C00048351 Caryophylla-4(14),8(15)-dien-5alpha-ol 91.18
C00047348 Sch 601254 89.47
C00047347 Sch 601253 89.19
C00047349 Sch 725432 89.19
C00022001 Tricyclohumuladiol 88.89
C00022016 4,11,11-Trimethyltricyclo[6.3.1.02.5]dodecane-6,8-diol 88.89
C00011708 Shiromool 88.57
C00012435 (-)-5-Hydroperoxylepidoza-1(10),4(14)-diene
5-Hydroperoxylepidoza-1(10),4(14)-diene		 88.57
C00012486 Lychnophoric acid 88.57
C00012497 Parvinolide
[3aS-(3aR*,6E,10aR*)]-3,3a,4,5,8,9,10,10a-Octahydro-2,2,6-trimethyl-10-methylene-2H-cyclonona[b]furan-2-one		 88.57
C00021915 Dipterolone 88.57
C00022025 Solanascone 88.57
C00033145 Madolin J
(+)-Madolin J		 88.57
C00033146 Madolin K
(+)-Madolin K		 88.57
C00036349 (4S*,5S*,6R*,7R*)-5-Methoxy-1(10)E-lepidozene 88.57
C00043546 Godotol A
(-)-Godotol A		 88.57
C00045857 Dihydromadolin K
(+)-Dihydromadolin K		 88.57
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