BIAdb Berbamunine 1322

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{{Drugbox | IUPAC_name =(1R)-1-[[4-hydroxy-3-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol | PubChem = 440585 | DrugBank = | ChemSpiderID = | chemical_formula =C₃₆H₄₀N₂O₆ | molecular_weight = 596.7126 | smiles = CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC | synonyms = | density = | melting_point = | boiling_point = | solubility = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = }}

[edit] Description

[edit] Source

Stephania pierrei

[edit] Function

Cytotoxic

[edit] General Properties

*Molecular Weight

596.7126

*Exact Mass

596.288637

*Molecular Formula

C₃₆H₄₀N₂O₆

*IUPAC NAME

(1R)-1-[[4-hydroxy-3-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

*Canonical Smiles

CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC

*XLogP

6

*Hydrogen bond donor

3

*Hydrogen bond acceptor

8

*Rotational Bond Count

8

*Topological Polar Surface Area

94.9

[edit] External Links

• Pubchem

• KEGG

Link to BIAdb Database