NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundPodophyllotoxin
NPACT-IdNPACT00872
IUPAC(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
SynonymsPodofilox;Condylox;Podophyllotoxin 7
PubChem Id10607
ClassLignans
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity Yes
TargetsMAPK8 |   All | 
Properties Physical   Elemental  Topological
InChi KeyYJGVMLPVUAXIQN-XVVDYKMHSA-N
InChi1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
SMILESO1C[C@H]2[C@@H]([C@@H](c3c([C@@H]2O)cc2OCOc2c3)c2cc(OC)c(OC)c(OC)c2)C1=O
SMART[H]O[C@@]1([H])C2=C([H])C3=C(OC([H])([H])O3)C([H])=C2[C@@]([H])(C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])[C@@]2([H])C(=O)OC([H])([H])[C@]12[H]
CAS No.518-28-5
Structure
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Cross Refrence in other databases
Super Natural   000518285
CTD   D011034
HIT   C0083
NCI-60 GI50 data   518-28-5
Suppliers ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Biosynth, ChemExper Chemical Directory, ChemMol, Enamine, Hangzhou APIChem Technology, NIH Clinical Collection, R&D Chemicals, Sigma-Aldrich, Therapeutic Targets Database, TimTec, Vitas-M Laboratory, 
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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