NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTetrandrine
NPACT-IdNPACT00972
IUPAC-
SynonymsD-Tetrandrine;(+)-Tetrandrine ;Fanchinine ;Tetrandrin ;(S,S)-Tetrandrine ;iso-tetrandrine ;Sinomenine A ;DL-Tetrandine ;(S,S)-(+)-Tetrandrine
PubChem Id73078
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsAKT1 | CASP3 | CDKN1B | GSK3B | MAPK1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyWVTKBKWTSCPRNU-KYJUHHDHSA-N
InChi1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
SMILESO1c2c3[C@@H](N(CCc3cc(OC)c2OC)C)Cc2cc(Oc3ccc(C[C@@H]4N(CCc5c4cc1c(OC)c5)C)cc3)c(OC)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(OC([H])([H])[H])C(OC4=C(OC([H])([H])[H])C([H])=C5C(=C4[H])[C@@]([H])([N@@](C([H])([H])[H])C([H])([H])C5([H])[H])C2([H])[H])=C13
CAS No.518-34-3
Structure
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Cross Refrence in other databases
Super Natural   000518343
CTD   C009438
HIT   C0317
NCI-60 GI50 data   518-34-3
Suppliers AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Ambinter, ChemMol, Hangzhou APIChem Technology, MolPort, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TimTec, Vitas-M Laboratory, ZINC, 
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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