NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundconvallatoxin
NPACT-IdNPACT00102
IUPAC5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
SynonymsConvallaotoxin;Convallaton;Corglycon;Convallatoxoside;Desglucocheirotoxin;3-[(6-deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide;DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-10-CARBALDEHYDE;Strophanthidin, 3-(6-deoxy-.alpha.-L-mannopyranoside);5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
PubChem Id2862
ClassSteroids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsHIF1A |   All | 
Properties Physical   Elemental  Topological
InChi KeyHULMNSIAKWANQO-UHFFFAOYSA-N
InChi1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3
SMILESOC12C3C(C4(C(O)(CC3)CC(OC3OC(C(O)C(O)C3O)C)CC4)C=O)CCC1(C(CC2)C1=CC(=O)OC1)C
SMART[#6]C1OC(OC2CCC3(C=O)C4CCC5([#6])C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O
CAS No.508-75-8
Structure
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Cross Refrence in other databases
Super Natural   000508758
CTD   C000505
HIT   -
NCI-60 GI50 data   508-75-8
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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