Molecule ID: 258956

IUPAC Name: [(1S,18R,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] acetate

Description: The molecule is an organic heteropentacyclic compound that is caranine in which the hydroxy group is acetylated. It has a role as a plant metabolite. It is an acetate ester, an organic heteropentacyclic compound and an alkaloid. It derives from a caranine.

SMILES: CC(=O)O[C@@H]1CC=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5

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

InChI: InChI=1S/C18H19NO4/c1-10(20)23-14-3-2-11-4-5-19-8-12-6-15-16(22-9-21-15)7-13(12)17(14)18(11)19/h2,6-7,14,17-18H,3-5,8-9H2,1H3/t14-,17-,18-/m1/s1

Molecular Properties:
- Polar Surface Area: 48.0 Ų
- LogP: 1.7