NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundEnt-8,9-Seco-7-alpha-acetoxy-11-beta-hydroxykaura-8(14),16-dien-9,15-dione
NPACT-IdNPACT00532
IUPAC-
Synonyms-
PubChem Id10785623
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBPMWBOSKRGOILK-FFLKSDMVSA-N
InChi1S/C22H30O5/c1-12-14-9-15(19(12)25)17(27-13(2)23)11-18-21(3,4)7-6-8-22(18,5)20(26)16(24)10-14/h9,14,16-18,24H,1,6-8,10-11H2,2-5H3/t14-,16+,17-,18-,22-/m1/s1
SMILESO([C@@H]1C[C@H]2[C@@](CCCC2(C)C)(C(=O)[C@@H](O)C[C@H]2C=C1C(=O)C2=C)C)C(=O)C
SMART[#6]C(=O)O[C@@H]1C[C@@H]2[C@@]([#6])([#6])CCC[C@@]2([#6])C(=O)[C@@H](O)C[C@H]2C=C1C(=O)C2=C
CAS No.-
Structure
Download

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

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.