NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundEnt-8,9-Seco-7-alpha,11-beta-dihydroxykaura-8(14),16-dien-9,15-dione
NPACT-IdNPACT00531
IUPAC-
Synonyms-
PubChem Id3809845
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMVMJWFDNKYVKQT-UHFFFAOYSA-N
InChi1S/C20H28O4/c1-11-12-8-13(17(11)23)14(21)10-16-19(2,3)6-5-7-20(16,4)18(24)15(22)9-12/h8,12,14-16,21-22H,1,5-7,9-10H2,2-4H3
SMILESO=C1[C@@]2([C@H](C(CCC2)(C)C)C[C@@H](O)C2=C[C@H](C[C@H]1O)C(=C)C2=O)C
SMART[#6][C@@]1([#6])CCC[C@@]2([#6])C1C[C@@H](O)C1=C[C@H](C[C@@H](O)C2=O)C(=C)C1=O
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemFrog, 
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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