NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCycleanine
NPACT-IdNPACT01181
IUPAC-
SynonymsO-Methylnorcycleanine;Dimethylisochondodendrine;Cycleanine (6CI,7CI,8CI);518-94-5;(12ar,24ar)-5,6,17,18-tetramethoxy-1,13-dimethyl-2,3,12a,13,14,15,24,24a-octahydro-1h,12h-8,11:20,23-dietheno[1,10]dioxacyclooctadecino[13,12,11-ij:4,3,2-
PubChem Id121313
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsDox |   All | 
Properties Physical   Elemental  Topological
InChi KeyANOXEUSGZWSCQL-LOYHVIPDSA-N
InChi1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1
SMILESO1c2c3[C@H](N(CCc3cc(OC)c2OC)C)Cc2ccc(Oc3c4[C@H](N(CCc4cc(OC)c3OC)C)Cc3ccc1cc3)cc2
SMART[H]C1=C([H])C2=C([H])C([H])=C1OC1=C3C(=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])[N@@](C([H])([H])[H])[C@]3([H])C([H])([H])C1=C([H])C([H])=C(OC3=C4C(=C([H])C(OC([H])([H])[H])=C3OC([H])([H])[H])C([H])([H])C([H])([H])[N@@](C([H])([H])[H])[C@]4([H])C2([H])[H])C([H])=C1[H]
CAS No.518-94-5
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C037098
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, 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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