Molecule ID: 5316525

IUPAC Name: 7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-one

Description: The molecule is a hydroxycoumarin that is 7-hydroxycoumarin which is substituted at position 6 by a 3-methylbut-2-en-1-yl group. A natural product found in Citropsis articulata. It has a role as a plant metabolite.

SMILES: CC(C)=CCc1cc2ccc(=O)oc2cc1O

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

InChI: InChI=1S/C14H14O3/c1-9(2)3-4-10-7-11-5-6-14(16)17-13(11)8-12(10)15/h3,5-8,15H,4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 3.5