NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundChelerythrine
NPACT-IdNPACT00417
IUPAC[6-[[(6S,7S)-6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate
Synonymschelerythrine ;Toddalin;Toddaline;Helleritrine hydroxide;Chelerythrine hydroxide ;Chelerythrinium hydroxide;Chelerythrine aurichloride;1,2-Dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium;
PubChem Id2703
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsPRKCA |   All | 
Properties Physical   Elemental  Topological
InChi KeyLLEJIEBFSOEYIV-UHFFFAOYSA-N
InChi1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
SMILESO1c2cc3c4[n+](cc5c(c4ccc3cc2OC1)ccc(OC)c5OC)C
SMART[H]C1=C([H])C2=C3C([H])=C([H])C4=C([H])C5=C(OC([H])([H])O5)C([H])=C4C3=[N+](C([H])=C2C(OC([H])([H])[H])=C1OC([H])([H])[H])C([H])([H])[H]
CAS No.34316-15-9
Structure
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Cross Refrence in other databases
Super Natural   034316159
CTD   C016299
HIT   C0448
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemFrog, R&D Chemicals, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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