NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundPodophyllotoxone
NPACT-IdNPACT00873
IUPAC-
Synonyms-
PubChem Id443014
ClassLignans
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyISCQYPPCSYRZOT-BKTGTZMESA-N
InChi1S/C22H20O8/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/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19-/m0/s1
SMILESO1C[C@H]2[C@@H]([C@@H](c3c(C2=O)cc2OCOc2c3)c2cc(OC)c(OC)c(OC)c2)C1=O
SMART[H]C1=C2C(=O)[C@@]3([H])C([H])([H])OC(=O)[C@]3([H])[C@]([H])(C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])C2=C([H])C2=C1OC([H])([H])O2
CAS No.477-49-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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