Molecule ID: 16737097

IUPAC Name: 6,9,10-trihydroxy-8-methoxy-1-oxo-3-[(E)-prop-1-enyl]-6H-pyrano[4,3-c]isochromene-7-carbaldehyde

Description: The molecule is an organic heterotricyclic compound that is 1H,6H-pyrano[4,3-c]isochromene-7-carbaldehyde substituted by hydroxy groups at positions 6, 9 and 10, methoxy group at position 8, oxo group at position 1 and a propenyl group at position 3. It is isolated from the fermented mushroom Cyathus stercoreus and exhibits radical scavenging activities. It has a role as a radical scavenger and a fungal metabolite. It is a delta-lactone, an arenecarbaldehyde, an aromatic ether, a cyclic ether, an organic heterotricyclic compound, a polyketide and a polyphenol.

SMILES: C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C=O)c1C(O)O2

SELFIES: [C][/C][=C][/C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][#Branch1][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][C][=O][=C][Ring1][N][C][Branch1][C][O][O][Ring2][Ring1][Ring2]

InChI: InChI=1S/C17H14O8/c1-3-4-7-5-9-11(17(22)24-7)12-10(16(21)25-9)8(6-18)15(23-2)14(20)13(12)19/h3-6,16,19-21H,1-2H3/b4-3+

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: 0.9