Molecule ID: 158608

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

Description: The molecule is the tetracyclic anthrafuran form of versicolorone. It is an anthrafuran, a versicolorone and a member of p-quinones.

SMILES: CC(=O)CCC1COc2cc3c(c(O)c21)C(=O)c1c(O)cc(O)cc1C3=O

SELFIES: [C][C][=Branch1][C][=O][C][C][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][O][=C][Ring1][#Branch1][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Ring1][S][=O]

InChI: InChI=1S/C20H16O7/c1-8(21)2-3-9-7-27-14-6-12-17(19(25)15(9)14)20(26)16-11(18(12)24)4-10(22)5-13(16)23/h4-6,9,22-23,25H,2-3,7H2,1H3

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 2.2