Molecule ID: 6716

IUPAC Name: 4-methoxy-7-methylfuro[3,2-g]chromen-5-one

Description: The molecule is a furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga. It has a role as a phytotoxin, an EC 1.1.1.37 (malate dehydrogenase) inhibitor, a vasodilator agent, an antihypertensive agent, an anti-inflammatory agent and a plant metabolite. It is a furanochromone, an aromatic ether and a polyketide.

SMILES: COc1c2ccoc2cc2oc(C)cc(=O)c12

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

InChI: InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3

Molecular Properties:
- Polar Surface Area: 48.7 Ų
- LogP: 2.3