BIAdb Phaeanthrine 2931
From DrugPedia: A Wikipedia for Drug discovery
{{Drugbox | IUPAC_name =1-[[3-[4-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium | PubChem = 73053 | DrugBank = | ChemSpiderID = | chemical_formula =C39H40N2O6+2 | molecular_weight = 632.7447 | smiles = C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5=[N+](C=CC6=CC(=C(C=C65)OC)OC)C)OC | synonyms = | density = | melting_point = | boiling_point = | solubility = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = }}
Contents |
[edit] Description
[edit] Source
Phaeanthus ebracteolatus
[edit] Function
Anticancer
[edit] General Properties
*Molecular Weight
632.7447
*Exact Mass
632.288637
*Molecular Formula
C39H40N2O6+2
*IUPAC NAME
1-[[3-[4-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium
*Canonical Smiles
C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5=[N+](C=CC6=CC(=C(C=C65)OC)OC)C)OC
*Isomeric Smiles
N/A
*XLogP
7.8
*Hydrogen bond donor
0
*Hydrogen bond acceptor
6
*Rotational Bond Count
11
*Topological Polar Surface Area
63.1