NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound1-(7-hydroxy-2,6-dimethyl-1-naphthyl)-4-methyl-3-pentanone
NPACT-IdNPACT01057
IUPAC-
Synonyms-
PubChem Id11529140
ClassTerpenoids
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGWIKNMRFHCFVPY-UHFFFAOYSA-N
InChi1S/C18H22O2/c1-11(2)17(19)8-7-15-12(3)5-6-14-9-13(4)18(20)10-16(14)15/h5-6,9-11,20H,7-8H2,1-4H3
SMILESO=C(CCc1c2c(ccc1C)cc(c(O)c2)C)C(C)C
SMART[H]OC1=C([H])C2=C(C([H])=C([H])C(=C2C([H])([H])C([H])([H])C(=O)[C@]([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])=C1C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C507962
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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