Molecule ID: 25203619

IUPAC Name: 2,4,6,8-tetrahydroxy-3-(2-hydroxyethyl)-2,3-dihydronaphtho[2,3-f][1]benzofuran-5,10-dione

Description: The molecule is an anthrafuran that is 2,3-dihydroanthra[2,3-b]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 2-hydroxyethyl group. An intermediate in the biosynthesis of aflatoxin. It is an anthrafuran, a lactol and a versiconal.

SMILES: O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)C(CCO)C(O)O1

SELFIES: [O][=C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][Ring1][=N][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][Branch1][Ring2][C][C][O][C][Branch1][C][O][O][Ring1][O]

InChI: InChI=1S/C18H14O8/c19-2-1-7-13-11(26-18(7)25)5-9-14(17(13)24)16(23)12-8(15(9)22)3-6(20)4-10(12)21/h3-5,7,18-21,24-25H,1-2H2

Molecular Properties:
- Polar Surface Area: 145.0 Ų
- LogP: 1.3