NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundglucostrophanthidin
NPACT-IdNPACT00205
IUPAC(3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17- dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
SynonymsStrophanthyl beta-D-glucoside;5,14-Dihydroxy-3-beta-((D-glucopyranosyl)oxy)-19-oxo-5-beta-card-20(22)-enolide;5-beta-Card-20(22)-enolide, 5,14-dihydroxy-3-beta-((D-glucopyranosyl)oxy)-19-oxo-;Strophanthidin-D-glucose;Strophanthidin, 3-beta-D-glucoside;(3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
PubChem Id22346
ClassSteroids
In-vitro anticancer activtiy 6 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUWXGONCJXIMJRE-OXDHUBJPSA-N
InChi1S/C29H42O11/c1-26-6-3-18-19(29(26,37)9-5-17(26)15-10-21(32)38-13-15)4-8-28(36)11-16(2-7-27(18,28)14-31)39-25-24(35)23(34)22(33)20(12-30)40-25/h10,14,16-20,22-25,30,33-37H,2-9,11-13H2,1H3/t16-,17+,18?,19?,20?,22+,23?,24?,25+,26+,27-,28-,29-/m0/s1
SMILESO[C@@]12C3C([C@@]4([C@](O)(CC3)C[C@@H](O[C@@H]3OC([C@@H](O)C(O)C3O)CO)CC4)C=O)CC[C@@]1([C@H](CC2)C1=CC(=O)OC1)C
SMART[#6][C@]12CCC3C(CC[C@]4(O)C[C@H](CC[C@]34C=O)O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
CAS No.6014-43-3
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   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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