NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundgamma-caryophyllene
NPACT-IdNPACT01213
IUPAC-
SynonymsIsocaryophillene;.gamma.-Caryophyllene;Cis-.beta.-caryophyllene;4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene;Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-;(4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene;Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-;
PubChem Id5322111
ClassTerpenoids
In-vitro anticancer activtiy 7 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNPNUFJAVOOONJE-WDZFZDKYSA-N
InChi1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-
SMILESC1(C2C(C1)C(=C)CCC=C(CC2)C)(C)C
SMART[H]C([H])=C1/C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])/C([H])([H])C([H])([H])[C@]2([H])[C@]1([H])C([H])([H])[C@]2(C([H])([H])[H])C([H])([H])[H]
CAS No.87-44-5
Structure
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Cross Refrence in other databases
Super Natural   000087445
CTD   C024714
HIT   C0040
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, ChemExper Chemical Directory, Chemical Synthesis Database, MolPort, Vitas-M Laboratory, 
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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