Bicucine

AlkaPlorer ID: AK290602

Synonym: 5-[Hydroxy-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylic acid 

IUPAC Name: 5-[hydroxy-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylic acid

Structure

SMILES: CN1CCC2=CC3=C(C=C2C1C(O)C1=CC=C2OCOC2=C1C(=O)O)OCO3

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InChI: InChI=1S/C20H19NO7/c1-21-5-4-10-6-14-15(27-8-26-14)7-12(10)17(21)18(22)11-2-3-13-19(28-9-25-13)16(11)20(23)24/h2-3,6-7,17-18,22H,4-5,8-9H2,1H3,(H,23,24)

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InChIKey: WUOGMWBLNQGZRV-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 385.3720000000002

TPSA: 97.69

MolLogP: 2.1048

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information