NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundZhankuic acid C
NPACT-IdNPACT01034
IUPAC(6R)-6-[(3R,4S,10S,12R,13R,14R,17R)-3,12-dihydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid
Synonyms-
PubChem Id10838646
ClassTerpenoids
In-vitro anticancer activtiy 10 cancer cell lines
In-Vivo anticancer activtiy No
TargetsBCL2 | CASP3 | PARP1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyLVFHKUZOQUATIE-JPYNITKASA-N
InChi1S/C29H42O6/c1-14(16(3)27(34)35)7-8-15(2)18-9-10-19-23-22(31)13-20-17(4)21(30)11-12-28(20,5)24(23)25(32)26(33)29(18,19)6/h15-21,26,30,33H,1,7-13H2,2-6H3,(H,34,35)/t15-,16?,17+,18-,19+,20?,21-,26+,28+,29-/m1/s1
SMILESO[C@@H]1[C@]2([C@@H](CC[C@@H]2[C@@H](CCC(=C)[C@H](C)C(=O)O)C)C2=C([C@@]3([C@@H]([C@@H]([C@H](O)CC3)C)CC2=O)C)C1=O)C
SMART[H]OC(=O)[C@]([H])(C(=C(/[H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C3=C(C(=O)[C@]([H])(O[H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C3=O)C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C098428
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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