Molecule ID: 23305215

IUPAC Name: (1R,4S,5E,8R,9R)-4-hydroxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodec-5-en-11-one

Description: The molecule is a sesquiterpene lactone with formula C15H22O3 that is isolated from Viola yedoensis and Aristolochia versicolor. It has a role as a plant metabolite. It is a sesquiterpene lactone, a secondary alcohol, an olefinic compound, an oxabicycloalkane and a germacrane sesquiterpenoid.

SMILES: C=C(C)[C@H]1C/C=C(\C)[C@@H](O)CC[C@@H]2C[C@H]1OC2=O

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

InChI: InChI=1S/C15H22O3/c1-9(2)12-6-4-10(3)13(16)7-5-11-8-14(12)18-15(11)17/h4,11-14,16H,1,5-8H2,2-3H3/b10-4+/t11-,12-,13+,14-/m1/s1

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 2.5