Molecule ID: 56684113

IUPAC Name: 1,7-dihydroxy-3,9-dimethoxy-4a-methylbenzo[c]chromene-2,6-dione

Description: The molecule is an organic heterotricyclic compound that is 2,4a-dihydro-6H-benzo[c]chromen-6-one substituted by hydroxy groups at positions 1 and 7, an oxo group at position 2, methoxy groups at positions 3 and 9, and a methyl group at position 4a. It is isolated from Hyalodendriella species. It has a role as an antifungal agent, a fungal metabolite and an antimicrobial agent. It is a delta-lactone, an aromatic ether, an organic heterotricyclic compound, an organic hydroxy compound, an enol ether, an enol and a benzochromene. It derives from a 6H-dibenzo[b,d]pyran-6-one.

SMILES: COC1=CC2(C)OC(=O)c3c(O)cc(OC)cc3C2=C(O)C1=O

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

InChI: InChI=1S/C16H14O7/c1-16-6-10(22-3)13(18)14(19)12(16)8-4-7(21-2)5-9(17)11(8)15(20)23-16/h4-6,17,19H,1-3H3

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: 1.9