Molecule ID: 124079402

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

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molecule is a member of the class of hydroxycoumarins that is esculetin in which the ring hydrogen at position 8 has been replaced by a geranyl group.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

SMILES: CC(C)=CCC/C(C)=C/Cc1c(O)c(O)cc2ccc(=O)oc12

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

InChI: InChI=1S/C19H22O4/c1-12(2)5-4-6-13(3)7-9-15-18(22)16(20)11-14-8-10-17(21)23-19(14)15/h5,7-8,10-11,20,22H,4,6,9H2,1-3H3/b13-7+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.0