Molecule ID: 135428133

IUPAC Name: 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one

Description: The molecule is a hydroxyindole that is 2H-pyrrol-2-one which is substituted at positions 3 and 5 by 1H-indol-3-yl and 5-hydroxy-1H-indol-3-yl groups, respectively. It is an intermediate in the biosynthesis of the purple chromobacterial pigment violacein from L-tryptophan. It has a role as a bacterial metabolite. It is a member of hydroxyindoles and a member of pyrroles. It derives from a L-tryptophan.

SMILES: O=C1N=C(c2c[nH]c3ccc(O)cc23)C=C1c1c[nH]c2ccccc12

SELFIES: [O][=C][N][=C][Branch1][P][C][=C][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][Ring1][#C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

InChI: InChI=1S/C20H13N3O2/c24-11-5-6-18-13(7-11)16(10-22-18)19-8-14(20(25)23-19)15-9-21-17-4-2-1-3-12(15)17/h1-10,21-22,24H

Molecular Properties:
- Polar Surface Area: 81.2 Ų
- LogP: 3.1