BIAdb Phaeanthrine 2931

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{{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 1 Description 2 Source 3 Function 4 General Properties 5 External Links

[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

[edit] External Links

• Pubchem

• KEGG

Link to BIAdb Database