Molecule ID: 10880921

IUPAC Name: (1R,2S,4R,5R,8S,9R,12S,13R,14R)-1,5-dihydroxy-13-methyl-14-prop-1-en-2-yl-3,7,10-trioxapentacyclo[6.4.1.19,12.02,4.05,13]tetradecan-11-one

Description: The molecule is a sesquiterpene lactone containing an epoxide group and two tertiary hydroxy groups that has been isolated from the fruits of Coriaria ruscifolia and Coriaria japonica. It has a role as a plant metabolite. It is a bridged compound, a diol, a sesquiterpene lactone, a tertiary alcohol, an organic heteropentacyclic compound and an epoxide.

SMILES: C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(O)CO[C@H]2[C@]13C

SELFIES: [C][=C][Branch1][C][C][C@@H1][C@H1][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C@][Branch1][C][O][C@H1][O][C@H1][Ring1][Ring1][C@][Branch1][C][O][C][O][C@H1][Ring1][#C][C@][Ring1][O][Ring1][=Branch1][C]

InChI: InChI=1S/C15H18O6/c1-5(2)6-7-12(16)20-8(6)9-13(3)14(17,4-19-9)10-11(21-10)15(7,13)18/h6-11,17-18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 88.5 Ų
- LogP: -0.5