Molecule ID: 10074

IUPAC Name: (1S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one

Description: The molecule is an organic heterotetracyclic indole alkaloid isolated from the seeds and other parts of Erythrina species. It differs from the alpha isomer in having the double bond of the dihydropyranone ring located beta,gamma- to the lactone carbonyl group instead of alpha,beta-. It has a role as a muscle relaxant and a plant metabolite. It is an indole alkaloid, a delta-lactone, an organic heterotetracyclic compound and a tertiary amino compound.

SMILES: CO[C@H]1C=CC2=CCN3CCC4=C(CC(=O)OC4)[C@]23C1

SELFIES: [C][O][C@H1][C][=C][C][=C][C][N][C][C][C][=C][Branch1][#Branch2][C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][C@][Ring1][=C][Ring1][O][C][Ring2][Ring1][C]

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/t13-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 38.8 Ų
- LogP: -0.2