NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound3beta ,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraen-7-one
NPACT-IdNPACT01078
IUPAC-
Synonyms-
PubChem Id11694896
ClassTerpenoids
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXKTPGZPMUGPQQP-FUHWJXTLSA-N
InChi1S/C18H22O3/c1-10-7-11-12(8-13(10)19)18(4)6-5-16(21)17(2,3)15(18)9-14(11)20/h7-9,16,19,21H,5-6H2,1-4H3/t16-,18+/m0/s1
SMILESO[C@@H]1C(C2=CC(=O)c3c([C@]2(CC1)C)cc(O)c(c3)C)(C)C
SMART[H]OC1=C(C([H])=C2C(=O)C([H])=C3[C@](C2=C1[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]3(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C507961
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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