Molecule ID: 138911145

IUPAC Name: (1S,2R,4R,5S,7E,11S)-5-hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

Description: The molecule is compound 524 in Scheme 3 from pmid:30468448. Produced by the same enzyme that produces CHEBI:144560 It derives from a parthenolide.

SMILES: C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)[C@@H](O)C/C=C(\C)CC[C@@H]12

SELFIES: [C][=C][C][=Branch1][C][=O][O][C@@H1][C@H1][O][C@][Ring1][Ring1][Branch1][C][C][C@@H1][Branch1][C][O][C][/C][=C][Branch1][C][\C][C][C][C@@H1][Ring2][Ring1][C][Ring1][=C]

InChI: InChI=1S/C15H20O4/c1-8-4-6-10-9(2)14(17)18-12(10)13-15(3,19-13)11(16)7-5-8/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11-,12-,13+,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 59.1 Ų
- LogP: 1.4