Molecule ID: 5748546

IUPAC Name: 5-hydroxy-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one

Description: The molecule is a naphtho-gamma-pyrone that is 4H-naphtho[1,2-b]pyran-4-one carrying a methyl substituent at position2, a hydroxy substituent at position 5 and two methoxy substotuents at positions 8 and 10. Originally isolated from Aspergillus niger. It has a role as an acyl-CoA:cholesterol acyltransferase 2 inhibitor, an Aspergillus metabolite, a marine metabolite and an antiviral agent. It is a naphtho-gamma-pyrone, an aromatic ether and a member of phenols.

SMILES: COc1cc(OC)c2c(c1)cc(O)c1c(=O)cc(C)oc12

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

InChI: InChI=1S/C16H14O5/c1-8-4-11(17)15-12(18)6-9-5-10(19-2)7-13(20-3)14(9)16(15)21-8/h4-7,18H,1-3H3

Molecular Properties:
- Polar Surface Area: 65.0 Ų
- LogP: 3.3