Hypecorine; (±)-form, 8,13-Dioxo, N-oxide 

AlkaPlorer ID: AK302200

Synonym: 8-Oxohypecorinine N-oxide 

IUPAC Name: 6-methyl-6-oxidospiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5,7'-[1,3]dioxolo[4,5-h]isochromene]-6',9'-dione

Structure

SMILES: C[N+]1([O-])CCC2=CC3=C(C=C2C12OC(=O)C1=C4OCOC4=CC=C1C2=O)OCO3

copy

InChI: InChI=1S/C20H15NO8/c1-21(24)5-4-10-6-14-15(27-8-26-14)7-12(10)20(21)18(22)11-2-3-13-17(28-9-25-13)16(11)19(23)29-20/h2-3,6-7H,4-5,8-9H2,1H3

copy

InChIKey: KWMAYLBHUDXZCB-UHFFFAOYSA-N

copy

Reference

PubChem CID: 11825450

CAS: 401892-68-0

Source

Properties Information

Molecule Weight: 397.33900000000017

TPSA: 103.35000000000002

MolLogP: 1.8506

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information