BIAdb Ipecoside 2300

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{{Drugbox | IUPAC_name =methyl(6S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-5-ethenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-4H-pyran-3-carboxylate | PubChem = 462196 | DrugBank = | ChemSpiderID = | chemical_formula =C₂₇H₃₅NO₁₂ | molecular_weight = 565.5663 | smiles = CC(=O)N1CCC2=CC(=C(C=C2C1CC3C(C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)C=C)O)O | 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

Psychotria ipecacuanha

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

565.5663

*Exact Mass

565.215926

*Molecular Formula

C₂₇H₃₅NO₁₂

*IUPAC NAME

methyl(6S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-5-ethenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-4H-pyran-3-carboxylate

*Canonical Smiles

CC(=O)N1CCC2=CC(=C(C=C2C1CC3C(C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)C=C)O)O

*Isomeric Smiles

CC(=O)N1CCC2=CC(=C(C=C2[C@H]1CC3C([C@@H](OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)C=C)O)O

*XLogP

-0.3

*Hydrogen bond donor

6

*Hydrogen bond acceptor

12

*Rotational Bond Count

8

*Topological Polar Surface Area

196

[edit] External Links

• Pubchem

Link to BIAdb Database