BIAdb Pilocercine 2938

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{{Drugbox | IUPAC_name =6-methoxy-8-[[6-methoxy-8-[[6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-ol | PubChem = 228285 | DrugBank = | ChemSpiderID = | chemical_formula =C₄₅H₆₅N₃O₆ | molecular_weight = 744.0141 | smiles = CC(C)CC1C2=CC(=C(C=C2CCN1C)OC)OC3=C4C(N(CCC4=CC(=C3OC5=C6C(N(CCC6=CC(=C5O)OC)C)CC(C)C)OC)C)CC(C)C | 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

Description

Source

Pilocereus sargentianus

Function

Unknown

General Properties

*Molecular Weight

744.0141

*Exact Mass

743.487337

*Molecular Formula

C₄₅H₆₅N₃O₆

*IUPAC NAME

6-methoxy-8-[[6-methoxy-8-[[6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-ol

*Canonical Smiles

CC(C)CC1C2=CC(=C(C=C2CCN1C)OC)OC3=C4C(N(CCC4=CC(=C3OC5=C6C(N(CCC6=CC(=C5O)OC)C)CC(C)C)OC)C)CC(C)C

*Isomeric Smiles

N/A

*XLogP

9.3

*Hydrogen bond donor

1

*Hydrogen bond acceptor

9

*Rotational Bond Count

13

*Topological Polar Surface Area

76.1

External Links

• Pubchem

• KEGG

Link to BIAdb Database