Molecule ID: 68486

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

Description: The molecule is a member of the class of coumarins in which the coumarin ring is substituted at positions 6 and 7 by a 3-methylbut-2-en-1-yl group and a methoxy group, respectively. A natural product found in Citropsis articulata. It has a role as a plant metabolite and an anticoagulant. It is a member of coumarins and an aromatic ether. It derives from a 7-demethylsuberosin.

SMILES: COc1cc2oc(=O)ccc2cc1CC=C(C)C

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

InChI: InChI=1S/C15H16O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4,6-9H,5H2,1-3H3

Molecular Properties:
- Polar Surface Area: 35.5 Ų
- LogP: 3.8