Molecule ID: 16737295

IUPAC Name: 9,10-dihydroxy-8-methoxy-1-oxo-6-propan-2-yloxy-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 9 and 10, methoxy group at position 8, oxo group at position 1, a propan-2-yloxy group at position 6 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(OC(C)C)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][#Branch1][O][C][Branch1][C][C][C][O][Ring2][Ring1][#Branch1]

InChI: InChI=1S/C20H20O8/c1-5-6-10-7-12-14(19(24)27-10)15-13(20(28-12)26-9(2)3)11(8-21)18(25-4)17(23)16(15)22/h5-9,20,22-23H,1-4H3/b6-5+

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 2.2