α-Erythroidine; Δ12-Isomer 

AlkaPlorer ID: AK297860

Synonym: β-Erythroidine, 12,13-Didehydro-13,14-dihydro-α-erythroidine

IUPAC Name: 16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one

Structure

SMILES: COC1C=CC2=CCN3CCC4=C(CC(=O)OC4)C23C1

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InChI: InChI=1S/C16H19NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,5,13H,4,6-10H2,1H3

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InChIKey: PXWINCSLFXUWBZ-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 273.332

TPSA: 38.77

MolLogP: 1.5893000000000002

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information