NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCepharanthine
NPACT-IdNPACT01166
IUPAC-
Synonyms(+)-Cepharanthine;Cepharantin;O-Methylcepharanoline;Cepharanthine (JAN);6',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthan;Oxyacanthan, 6',12'-dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))-;
PubChem Id10206
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsAKT1 | CASP3 | CYCS | MAPK1 | MAPK3 | MAPK8 | PARP1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyYVPXVXANRNDGTA-WDYNHAJCSA-N
InChi1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1
SMILESO1c2c3[C@@H](N(CCc3cc3OCOc23)C)Cc2ccc(Oc3cc(C[C@H]4N(CCc5c4cc1c(OC)c5)C)ccc3OC)cc2
SMART[H]C1=C([H])C2=C([H])C([H])=C1OC1=C(OC([H])([H])[H])C([H])=C([H])C(=C1[H])C([H])([H])[C@@]1([H])[N@](C([H])([H])[H])C([H])([H])C([H])([H])C3=C([H])C(OC([H])([H])[H])=C(OC4=C5C(=C([H])C6=C4OC([H])([H])O6)C([H])([H])C([H])([H])[N@](C([H])([H])[H])[C@@]5([H])C2([H])[H])C([H])=C13
CAS No.481-49-2
Structure
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Cross Refrence in other databases
Super Natural   000481492
CTD   C006947
HIT   C0371
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, ChemMol, FINETECH, Hangzhou APIChem Technology, MolPort, Vitas-M Laboratory, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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