NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundbeta-caryophyllene 4,5 alpha-oxide
NPACT-IdNPACT01387
IUPAC-
SynonymsCaryophyllene oxide;Epoxycaryophyllene;Caryophylene oxide;Caryophyllene epoxide;isocaryophyllene oxide;beta-Caryophyllene oxide;trans-caryophyllene oxide;(-)-Epoxydihydrocaryophyllene;(-)-BETA-CARYOPHYLLENE EPOXIDE;4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane;4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane, (1R,4R,6R,10S)-;5-Oxatricyclo(8.2.0.0(4,6))dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-;5-Oxatricyclo(8.2.0.04,6)dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-;(1R-(1R*,4R*,6R*,10S*))-4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane;5-Oxatricyclo(8.2.0.0(sup 4,6))dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-;5-Oxatricyclo[8.2.0.0(4,6)-]dodecane, 4,12,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]-;4,5-Epoxy-4,11,11-trimethyl-8-methylenebicyclo(7.2.0)undecane;4,5-epoxy-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undecane;4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane;4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane;5-Oxatricyclo(8.2.0.04,6)dodecane, 4,12,12-trimethyl-9-methylene-;(10S,1R,4R,6R)-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.0<4,6>]dodeca ne;(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane;(1R,4R,6S,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
PubChem Id14350
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNVEQFIOZRFFVFW-UHFFFAOYSA-N
InChi1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3
SMILESO1C2(C1CCC(=C)C1C(C(C1)(C)C)CC2)C
SMART[#6]C12CCC3C(CC3([#6])[#6])C(=C)CCC1O2
CAS No.105120-46-5;11023-55-5;13877-94-6;17627-43-9;32095-03-7;52209-95-7;1139-30-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, Angene Chemical, ChemExper Chemical Directory, ChemFrog, TimTec, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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