Molecule ID: 10212

IUPAC Name: 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one

Description: The molecule is a member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a metabolite.

SMILES: CC(C)=CCOc1c2occc2cc2ccc(=O)oc12

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

InChI: InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3

Molecular Properties:
- Polar Surface Area: 48.7 Ų
- LogP: 3.4