Molecule ID: 122198244

IUPAC Name: 3-hydroxy-7-(hydroxymethyl)-6-methyl-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 C18H23NO5, 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, a primary alcohol and a cyclic ketone.

SMILES: CCCCC/C=C/C=C/c1oc2c(c(=O)c1O)C(=O)N(C)C2CO

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][O]

InChI: InChI=1S/C18H23NO5/c1-3-4-5-6-7-8-9-10-13-15(21)16(22)14-17(24-13)12(11-20)19(2)18(14)23/h7-10,12,20-21H,3-6,11H2,1-2H3/b8-7+,10-9+

Molecular Properties:
- Polar Surface Area: 87.1 Ų
- LogP: 2.3