Molecule ID: 125303145

IUPAC Name: 5,7,8-trihydroxy-6-methoxychromen-2-one

Description: The molecule is a hydroxycoumarin that is fraxetin which has been substituted by an additional hydroxy group at positions 5. It is the primary molecule exuded by Arabidopsis thaliana roots in response to iron deficiency. It has a role as an Arabidopsis thaliana metabolite. It is a hydroxycoumarin and an aromatic ether. It derives from a fraxetin.

SMILES: COc1c(O)c(O)c2oc(=O)ccc2c1O

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

InChI: InChI=1S/C10H8O6/c1-15-10-6(12)4-2-3-5(11)16-9(4)7(13)8(10)14/h2-3,12-14H,1H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 0.8