NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundD-Limonene
NPACT-IdNPACT00515
IUPAC(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
Synonyms(+)-Limonen;Citrene
PubChem Id440917
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsVEGFA |   All | 
Properties Physical   Elemental  Topological
InChi KeyXMGQYMWWDOXHJM-JTQLQIEISA-N
InChi1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
SMILES[C@H]1(CCC(=CC1)C)C(=C)C
SMART[H]C([H])=C(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C1([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C008281
HIT   C0287
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, IS Chemical Technology, Oakwood Products, Sigma-Aldrich, TCI (Tokyo Chemical Industry), ZINC, 
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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