Molecule ID: 169539

IUPAC Name: 4,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one

Description: The molecule is an isochromane that is mellein bearing a hydroxy group at position 4. It has a role as an antifungal agent, a fungal metabolite, a plant metabolite, an animal metabolite and an antimicrobial agent. It is a member of isochromanes, a member of phenols and a delta-lactone. It derives from a mellein.

SMILES: CC1OC(=O)c2c(O)cccc2C1O

SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Ring1][N][O]

InChI: InChI=1S/C10H10O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2-5,9,11-12H,1H3

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 1.3