Molecule ID: 190433

IUPAC Name: (1S,6bS,7S,12bS)-1,4,7,10-tetrahydroxy-1,2,6b,7,8,12b-hexahydroperylene-3,9-dione

Description: The molecule is an organic polycyclic compound that is 1,2,6b,7,8,12b-hexahydroperylene-3,9-dione which is substituted at positions 1, 4, 7, and 10 by hydroxy groups (the all-S isomer). It has a role as an antifungal agent and a fungal metabolite. It is an organic polycyclic compound, an aromatic ketone, a secondary alcohol and a member of phenols.

SMILES: O=C1C[C@H](O)[C@H]2c3ccc(O)c4c3[C@H](c3ccc(O)c1c32)[C@@H](O)CC4=O

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

InChI: InChI=1S/C20H16O6/c21-9-3-1-7-15-11(23)5-14(26)20-10(22)4-2-8(18(15)20)16-12(24)6-13(25)19(9)17(7)16/h1-4,11-12,15-16,21-24H,5-6H2/t11-,12-,15+,16+/m0/s1

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: 1.5