Molecule ID: 11470243

IUPAC Name: (2S)-6-hydroxy-2-methyl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione

Description: The molecule is a naphthofuran that is 2,3-dihydronaphtho[1,2-b]furan-4,5-dione substitutd by a hydroxy group at position 6 and a methyl group at position 2. It is isolated from Norcardia sp.TC-A0248 and acts as a protein tyrosine phosphatase inhibitor. It has a role as a metabolite, an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an antifungal agent and an antimicrobial agent. It is a naphthofuran, a member of phenols and a member of orthoquinones.

SMILES: C[C@H]1CC2=C(O1)c1cccc(O)c1C(=O)C2=O

SELFIES: [C][C@H1][C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][=N][=O]

InChI: InChI=1S/C13H10O4/c1-6-5-8-11(15)12(16)10-7(13(8)17-6)3-2-4-9(10)14/h2-4,6,14H,5H2,1H3/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 1.9