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
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
InChIKey: PXWINCSLFXUWBZ-UHFFFAOYSA-N
Reference
Alkaloids from the flowers of Erythrina americana
PubChem CID: 410620
CAS: 466-81-9
LOTUS: LTS0261811
NPASS: NPC80556
COCONUT: CNP0236438.1
Source
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
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