Molecule ID: 68081

IUPAC Name: 4-(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 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. It has a role as a metabolite and an EC 3.1.1.7 (acetylcholinesterase) inhibitor.

SMILES: CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12

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

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

Molecular Properties:
- Polar Surface Area: 48.7 Ų
- LogP: 3.8