Molecule ID: 71694409

IUPAC Name: 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one

Description: The molecule is a member of the class of hydroxycoumarins that is umbelliferone in which the ring hydrogen at position 8 has been replaced by a geranyl group. It has a role as a plant metabolite. It is a hydroxycoumarin and a monoterpenoid. It derives from an umbelliferone.

SMILES: CC(C)=CCC/C(C)=C/Cc1c(O)ccc2ccc(=O)oc12

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

InChI: InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-10-16-17(20)11-8-15-9-12-18(21)22-19(15)16/h5,7-9,11-12,20H,4,6,10H2,1-3H3/b14-7+

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 5.3