NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-O-beta-D-xylopyranosylstrophanthidin
NPACT-IdNPACT01324
IUPAC(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxyoxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Synonyms-
PubChem Id16402472
ClassSteroids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXMNREHIXCIWCGI-JOLJSDNBSA-N
InChi1S/C28H40O10/c1-25-6-3-18-19(28(25,35)9-5-17(25)15-10-21(31)36-12-15)4-8-27(34)11-16(2-7-26(18,27)14-29)38-24-23(33)22(32)20(30)13-37-24/h10,14,16-20,22-24,30,32-35H,2-9,11-13H2,1H3/t16-,17+,18-,19+,20?,22?,23?,24?,25+,26-,27-,28-/m0/s1
SMILESO[C@@]12[C@H]3[C@@H]([C@@]4([C@](O)(CC3)C[C@@H](OC3OCC(O)C(O)C3O)CC4)C=O)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](CC[C@]34C=O)OC3OCC(O)C(O)C3O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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