NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGlaucocalyxin A
NPACT-IdNPACT00628
IUPAC-
Synonyms(7R,14R)-Ent-7,14,dihydroxy-(-)-kaur-16-en-3,15-dione
PubChem Id127626
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsBAX | BCL2 | CASP3 | CASP9 |   All | 
Properties Physical   Elemental  Topological
InChi KeyUCDVIBNDYLUWFP-CHIXHNRLSA-N
InChi1S/C20H28O4/c1-10-11-5-6-12-19(4)8-7-14(21)18(2,3)13(19)9-15(22)20(12,16(10)23)17(11)24/h11-13,15,17,22,24H,1,5-9H2,2-4H3/t11?,12-,13+,15+,17?,19-,20?/m0/s1
SMILESO[C@H]1[C@@]23[C@H]([C@]4([C@H](C1)C(C(=O)CC4)(C)C)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(=O)C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1([H])C([H])([H])C2([H])[H])(C([H])([H])[H])C([H])([H])[H]
CAS No.83803-79-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C055124
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, IS Chemical Technology, Kingston Chemistry, 
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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