Molecule ID: 11822857

IUPAC Name: 3-(hydroxymethyl)-4-methoxy-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one

Description: The molecule is a prosolanapyrone that is prosolanapyrone I in which one of the hydrogens of the methyl substituent at position 3 of the pyrone ring is substituted by a hydroxy group. It is a prosolanapyrone and a primary alcohol.

SMILES: C/C=C/C=C/CCCC/C=C/c1cc(OC)c(CO)c(=O)o1

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

InChI: InChI=1S/C18H24O4/c1-3-4-5-6-7-8-9-10-11-12-15-13-17(21-2)16(14-19)18(20)22-15/h3-6,11-13,19H,7-10,14H2,1-2H3/b4-3+,6-5+,12-11+

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 4.1