Molecule ID: 135455579

IUPAC Name: (2Z)-3-methoxy-2-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole

Description: The molecule is a member of the class of tripyrroles that is a red-coloured pigment with antibiotic properties produced by Serratia marcescens. It has a role as an antimicrobial agent, a biological pigment, a bacterial metabolite, an apoptosis inducer and an antineoplastic agent. It is a tripyrrole, an aromatic ether and a ring assembly.

SMILES: CCCCCc1cc(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]c1C

SELFIES: [C][C][C][C][C][C][C][=C][Branch2][Ring1][Ring2][/C][=C][\N][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][#Branch2][O][C][NH1][C][=Ring2][Ring1][C][C]

InChI: InChI=1S/C20H25N3O/c1-4-5-6-8-15-11-16(22-14(15)2)12-19-20(24-3)13-18(23-19)17-9-7-10-21-17/h7,9-13,21-22H,4-6,8H2,1-3H3/b19-12-

Molecular Properties:
- Polar Surface Area: 53.2 Ų
- LogP: 4.5