Molecule ID: 9952015

IUPAC Name: 10-hydroxy-1,7-dimethoxy-3-[(E)-4-methylhex-2-en-2-yl]-1H-benzo[g]isochromene-8,9-dione

Description: The molecule is an organic heterotricyclic compound that is 1H-benzo[g]isochromene-8,9-dione substituted by a hydroxy group at position 10, methoxy groups at positions 1 and 7 and a 4-methylhex-2-en-2-yl group at position 3. Isolated from the stem of the fruiting bodies of the basidiomycete strain Laccaria amethystea, it exhibits inhibitory activity against proteases. It has a role as a metabolite and a protease inhibitor. It is a member of isochromenes, an organic heterotricyclic compound, a member of phenols, a member of orthoquinones, a cyclic acetal and an enol ether.

SMILES: CCC(C)/C=C(\C)C1=Cc2cc3c(c(O)c2C(OC)O1)C(=O)C(=O)C(OC)=C3

SELFIES: [C][C][C][Branch1][C][C][/C][=C][Branch1][C][\C][C][=C][C][=C][C][=C][Branch1][S][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][O][Ring1][=N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][=C][Ring1][P]

InChI: InChI=1S/C22H24O6/c1-6-11(2)7-12(3)15-9-14-8-13-10-16(26-4)19(23)21(25)17(13)20(24)18(14)22(27-5)28-15/h7-11,22,24H,6H2,1-5H3/b12-7+

Molecular Properties:
- Polar Surface Area: 82.1 Ų
- LogP: 4.8