NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundstrophanthidin
NPACT-IdNPACT00117
IUPAC(3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Synonymsstrophanthidin;Convallatoxigenin;Strophanthidine;Corchsularin;Corchorgenin;Erysimupicrone;Corchorin;k-Strophanthidin;Strophanthidin K;Apocynamarin;Erysimupikron;k-Strophanthidine;5beta-Hydroxy-19-oxodigitoxigenin;3beta,5,14-Trihydroxy-19-oxo-5beta-card-20(22)-enolide;Cymarigenin;3,5,14-Trihydroxy-19-oxocard-20(22)-enolide;3-beta,5,14-Trihydroxy-19-oxo-5-beta-card-20(22)-enolide;(3beta,5beta)-3,5,14-Trihydroxy-19-oxocard-20(22)-enolide;5-beta-CARD-20(22)-ENOLIDE, 3-beta,5,14-TRIHYDROXY-19-OXO-;kappa-Strophanthidine;5-18-05-00126 (Beilstein Handbook Reference);3-beta,5,14-Trioxy-19-oxo-digen-(20:22)-olid;3-beta,5,14-Trioxy-19-oxo-carden-(20:22)-olid;19-OXO-CARDOGENEN-(20:22)-TRIOL-(3-beta,5,14);5.beta.-Card-20(22)-enolide,5,14-trihydroxy-19-oxo-;3.beta.,14-Trihydroxy-19-oxo-5.beta.-card-20(22)-enolide;5beta-Card-20(22)-enolide, 3beta,5,14-trihydroxy-19-oxo-;(1S,2S,5S,7S,11S,10R,14R,15R)-5,7,11-trihydroxy-15-methyl-14-(5-oxo(3-2-hydrof uryl))tetracyclo[8.7.0.0<2,7>.0<11,15>]heptadecane-2-carbaldehyde;(3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde;
PubChem Id6185
ClassSteroids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyODJLBQGVINUMMR-HZXDTFASSA-N
InChi1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/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=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](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
CAS No.66-28-4;11023-66-8;1398-86-3
Structure
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Cross Refrence in other databases
Super Natural   000066284
CTD   D013327
HIT   -
NCI-60 GI50 data   66-28-4;11023-66-8;1398-86-3
Suppliers NA, 
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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