Molecule ID: 102128928

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

Description: The molecule is a member of the class of pyranopyrroles with formula C18H21NO4, 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: C=C1c2oc(/C=C/C=C/CCCCC)c(O)c(=O)c2C(=O)N1C

SELFIES: [C][=C][C][O][C][Branch1][#Branch2][/C][=C][/C][=C][/C][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=Ring1][P][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C]

InChI: InChI=1S/C18H21NO4/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/h8-11,20H,2,4-7H2,1,3H3/b9-8+,11-10+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 3.6