NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundEnt-7-alpha,14-beta-dihydroxykaur-16-en-15-one
NPACT-IdNPACT00528
IUPAC-
Synonyms-
PubChem Id44445571
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNFKB1 | NOS2 |   All | 
Properties Physical   Elemental  Topological
InChi KeyVDKAWCFXCLMFBY-IPDBMXHFSA-N
InChi1S/C20H30O3/c1-11-12-6-7-13-19(4)9-5-8-18(2,3)14(19)10-15(21)20(13,16(11)22)17(12)23/h12-15,17,21,23H,1,5-10H2,2-4H3/t12-,13-,14+,15+,17+,19-,20-/m0/s1
SMILESO[C@H]1[C@]23[C@H]([C@]4([C@@H](C(CCC4)(C)C)C1)C)CC[C@H]([C@H]2O)C(=C)C3=O
SMART[H]O[C@]1([H])[C@]2([H])C(=C([H])[H])C(=O)[C@]11[C@]([H])(O[H])C([H])([H])[C@]3([H])[C@@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1([H])C([H])([H])C2([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
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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