NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundFangchinoline
NPACT-IdNPACT00575
IUPAC-
Synonyms(1-beta)-2,2'-Dimethyl-6,6',12-trimethoxyberbaman-7-ol
PubChem Id73481
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsAKT1 | BAX | BCL2 |   All | 
Properties Physical   Elemental  Topological
InChi KeyIIQSJHUEZBTSAT-VMPREFPWSA-N
InChi1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1
SMILESO1c2c3[C@@H](N(CCc3cc(OC)c2O)C)Cc2cc(Oc3ccc(C[C@@H]4N(CCc5c4cc1c(OC)c5)C)cc3)c(OC)cc2
SMART[H]OC1=C(OC([H])([H])[H])C([H])=C2C3=C1OC1=C(OC([H])([H])[H])C([H])=C4C(=C1[H])[C@@]([H])([N@](C([H])([H])[H])C([H])([H])C4([H])[H])C([H])([H])C1=C([H])C([H])=C(OC4=C(OC([H])([H])[H])C([H])=C([H])C(=C4[H])C([H])([H])[C@]3([H])[N@](C([H])([H])[H])C([H])([H])C2([H])[H])C([H])=C1[H]
CAS No.436-77-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C060802
HIT   -
NCI-60 GI50 data   436-77-1
Suppliers AAA Chemistry, ABI Chem, ChemMol, Kingston Chemistry, 
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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