NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundEnt-8,9-Seco-7-alpha-hydroxy-11-acetoxykaura-8(14),16-dien-9,15-dione
NPACT-IdNPACT00534
IUPAC-
Synonyms-
PubChem Id6398572
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWJAMERXGFWVGIW-QWXPOLKHSA-N
InChi1S/C22H30O5/c1-12-14-9-15(19(12)25)16(24)11-18-21(3,4)7-6-8-22(18,5)20(26)17(10-14)27-13(2)23/h9,14,16-18,24H,1,6-8,10-11H2,2-5H3/t14?,16-,17+,18-,22-/m1/s1
SMILESO=C1[C@]2([C@@H](C(CCC2)(C)C)C[C@@H](O)C2=C[C@H](C[C@@H]1OC(=O)C)C(=C)C2=O)C
SMART[H]O[C@@]1([H])C2=C([H])[C@@]([H])(C(=C(/[H])[H])C2=O)C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])C(=O)[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])[H])[C@@]2([H])C1([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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