Molecule ID: 122198245

IUPAC Name: 3-hydroxy-6,7-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-7H-pyrano[2,3-c]pyrrole-4,5-dione

Description: The molecule is a member of the class of pyranopyrroles with formula C18H23NO4, originally isolated from Aspergillus niger. It has a role as an Aspergillus metabolite and a marine metabolite. It is a gamma-lactam, an enol, a pyranopyrrole and a cyclic ketone.

SMILES: CCCCC/C=C/C=C/c1oc2c(c(=O)c1O)C(=O)N(C)C2C

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

InChI: InChI=1S/C18H23NO4/c1-4-5-6-7-8-9-10-11-13-15(20)16(21)14-17(23-13)12(2)19(3)18(14)22/h8-12,20H,4-7H2,1-3H3/b9-8+,11-10+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 3.4