Molecule ID: 5385192

IUPAC Name: 4-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one

Description: The molecule is a member of the class of psoralens that is xanthotoxin substituted by a hydroxy group at position 5. It has a role as a metabolite. It derives from a methoxsalen. It is a conjugate acid of a 5-hydroxyxanthotoxin(1-).

SMILES: COc1c2occc2c(O)c2ccc(=O)oc12

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

InChI: InChI=1S/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3

Molecular Properties:
- Polar Surface Area: 68.9 Ų
- LogP: 1.6