Molecule ID: 2358

IUPAC Name: 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one

Description: The molecule is a lactol that is DIBOA in which the hydrogen at position 7 is replaced by a methoxy group. It has been isolated from the maize plants. It has a role as a plant metabolite and an allelochemical. It is a lactol, a benzoxazine, an aromatic ether and a cyclic hydroxamic acid. It derives from a DIBOA.

SMILES: COc1ccc2c(c1)OC(O)C(=O)N2O

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

InChI: InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3

Molecular Properties:
- Polar Surface Area: 79.2 Ų
- LogP: 0.0