NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMethyl zhankuic acid A
NPACT-IdNPACT00774
IUPACmethyl(6R)-2-methyl-3-methylidene-6-[(4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate
SynonymsZhankuic Acid A Methyl Ester
PubChem Id53319974
ClassTerpenoids
In-vitro anticancer activtiy 10 cancer cell lines
In-Vivo anticancer activtiy No
TargetsBCL2 | CASP3 | PARP1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyNZJIIJSJLBIJDO-RTMVVRFTSA-N
InChi1S/C30H42O5/c1-16(18(3)28(34)35-7)8-9-17(2)20-10-11-21-26-24(32)14-22-19(4)23(31)12-13-29(22,5)27(26)25(33)15-30(20,21)6/h17-22H,1,8-15H2,2-7H3/t17-,18?,19+,20-,21+,22+,29+,30-/m1/s1
SMILESO=C1C[C@]2([C@@H](CC[C@@H]2[C@@H](CCC(=C)[C@H](C)C(=O)OC)C)C2=C1[C@@]1([C@@H](CC2=O)[C@@H](C(=O)CC1)C)C)C
SMART[#6]OC(=O)[C@@H]([#6])C(=C)CC[C@@H]([#6])[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12[#6])[C@@]1([#6])CCC(=O)[C@@H]([#6])[C@@H]1CC3=O
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   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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