NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound17-alpha-H-periplogenin
NPACT-IdNPACT00046
IUPAC3-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SynonymsDesoxostrophanthidin;5-beta-Hydroxydigitoxigenin
PubChem Id10574
ClassSteroids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQJPCKAJTLHDNCS-FBAXFMHRSA-N
InChi1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,20+,21+,22-,23-/m0/s1
SMILESO[C@@]12[C@H]3[C@@H]([C@@]4([C@](O)(CC3)C[C@@H](O)CC4)C)CC[C@@]1([C@H](CC2)C1=CC(=O)OC1)C
SMART[#6][C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34[#6])[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
CAS No.514-39-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, IS Chemical Technology, 
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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