Molecule ID: 323623

IUPAC Name: 14-hydroxy-1,9-dimethyl-4-methylidene-6,12-dioxatetracyclo[8.4.0.03,7.011,13]tetradecan-5-one

Description: The molecule is an azulenofuran that is decahydrooxireno[1,2]azuleno[6,5-b]furan-5(1aH)-one substituted by a hydroxy group at position 8, methyl groups at positions 2 and 7a and a methylidene group at position 6. It has a role as a plant metabolite. It is a sesquiterpene lactone and an azulenofuran.

SMILES: C=C1C(=O)OC2CC(C)C3C4OC4C(O)C3(C)CC12

SELFIES: [C][=C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][O][C][Ring1][Ring1][C][Branch1][C][O][C][Ring1][#Branch1][Branch1][C][C][C][C][Ring2][Ring1][C][Ring1][=C]

InChI: InChI=1S/C15H20O4/c1-6-4-9-8(7(2)14(17)18-9)5-15(3)10(6)11-12(19-11)13(15)16/h6,8-13,16H,2,4-5H2,1,3H3

Molecular Properties:
- Polar Surface Area: 59.1 Ų
- LogP: 1.7