NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCorydaline
NPACT-IdNPACT01179
IUPAC-
Synonymsd-Corydaline;Berbine, 2,3,9,10-tetramethoxy-13-methyl-;6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-E)-
PubChem Id101301
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVRSRXLJTYQVOHC-YEJXKQKISA-N
InChi1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1
SMILESO(c1c2CN3[C@H]([C@H](c2ccc1OC)C)c1c(CC3)cc(OC)c(OC)c1)C
SMART[H]C1=C([H])C2=C(C(OC([H])([H])[H])=C1OC([H])([H])[H])C([H])([H])[N@@]1C([H])([H])C([H])([H])C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C3[C@@]1([H])[C@@]2([H])C([H])([H])[H]
CAS No.518-69-4
Structure
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Cross Refrence in other databases
Super Natural   000518694
CTD   C452799
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, Biosynth, ChemMol, ZINC, 
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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