Molecule ID: 50907655

IUPAC Name: (E)-4-[[(3R)-5,6-dihydroxy-3-methyl-2-oxo-4-[(E)-prop-1-enyl]-1-benzofuran-3-yl]amino]-4-oxobut-2-enoic acid

Description: The molecule is a member of the class of 1-benzofurans that is 1-benzofuran-2(3H)-one substituted by a propenyl group at position 4, hydroxy groups at positions 5 and 6, methyl group at position 3 and a [(2E)-3-carboxyprop-2-enoyl]nitrilo group at position 3. Isolated from the fermentation broth of Aspergillus fumisynnematus F746, it exhibits antibacterial activity. It has a role as an antibacterial agent, an EC 3.5.1.88 (peptide deformylase) inhibitor and an Aspergillus metabolite. It is a member of 1-benzofurans, a gamma-lactone, a polyphenol, a monocarboxylic acid and a dicarboxylic acid monoamide.

SMILES: C/C=C/c1c(O)c(O)cc2c1[C@@](C)(N=C(O)/C=C/C(=O)O)C(=O)O2

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

InChI: InChI=1S/C16H15NO7/c1-3-4-8-13-10(7-9(18)14(8)22)24-15(23)16(13,2)17-11(19)5-6-12(20)21/h3-7,18,22H,1-2H3,(H,17,19)(H,20,21)/b4-3+,6-5+/t16-/m1/s1

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: 1.0