Molecule ID: 9930744

IUPAC Name: 1-ethoxy-10-hydroxy-7-methoxy-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 an ethoxy group at position 1, hydroxy group at position 10, a methoxy group at position 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: CCOC1OC(/C(C)=C/C(C)CC)=Cc2cc3c(c(O)c21)C(=O)C(=O)C(OC)=C3

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

InChI: InChI=1S/C23H26O6/c1-6-12(3)8-13(4)16-10-15-9-14-11-17(27-5)20(24)22(26)18(14)21(25)19(15)23(29-16)28-7-2/h8-12,23,25H,6-7H2,1-5H3/b13-8+

Molecular Properties:
- Polar Surface Area: 82.1 Ų
- LogP: 5.2