Molecule ID: 119199

IUPAC Name: 8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one

Description: The molecule is a member of the class of dihydroisocoumarins that is 3,4-dihydroisocoumarin substituted by a hydroxy group at position 8 and a 4-hydroxyphenyl group at position 3. It has been isolated from the roots of Scorzonera judaica and exhibits anti-allergic activity. It has a role as an anti-allergic agent and a plant metabolite. It is a member of phenols and a member of dihydroisocoumarins. It derives from a 3,4-dihydroisocoumarin.

SMILES: O=C1OC(c2ccc(O)cc2)Cc2cccc(O)c21

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

InChI: InChI=1S/C15H12O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13,16-17H,8H2

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 3.2