NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundAlpha-Pinene
NPACT-IdNPACT00238
IUPAC-
SynonymsALPHA-PINENE [MeSH: alpha-pinene] ;2-Pinene [MeSH: 2-pinene] ;Pinene isomer ;Acintene A ;.alpha.-Pinene ;PINENE, ALPHA ;1R-.alpha.-Pinene ;1S-.alpha.-Pinene ;(R)-.alpha.-Pinene
PubChem Id6654
ClassTerpenoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGRWFGVWFFZKLTI-UHFFFAOYSA-N
InChi1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
SMILESC1([C@@H]2C[C@H]1C(=CC2)C)(C)C
SMART[H]C1=C(C([H])([H])[H])[C@]2([H])C([H])([H])[C@]([H])(C1([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])[H]
CAS No.80-56-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C005451
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, Angene International, ChemExper Chemical Directory, ChemFrog, ChemMol, MP Biomedicals, Sigma-Aldrich, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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