Molecule ID: 16756786

IUPAC Name: (7R)-3,7-dihydroxy-2-[(E)-prop-1-enyl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione

Description: The molecule is a member of the class of pyranopyrroles that is 2-[(1E)-prop-1-en-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione carrying two additional hydroxy substituents at positions 3 and 7. Originally isolated from Aspergillus niger. It has a role as an Aspergillus metabolite, a marine metabolite and an antioxidant. It is a pyranopyrrole, a gamma-lactam, an enol, a secondary alcohol and a cyclic ketone.

SMILES: C/C=C/c1oc2c(c(=O)c1O)C(O)=N[C@@H]2O

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

InChI: InChI=1S/C10H9NO5/c1-2-3-4-6(12)7(13)5-8(16-4)10(15)11-9(5)14/h2-3,10,12,15H,1H3,(H,11,14)/b3-2+/t10-/m1/s1

Molecular Properties:
- Polar Surface Area: 95.9 Ų
- LogP: -0.5