Molecule ID: 10352414

IUPAC Name: (E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid

Description: The molecule is a monoterpenoid that is (2E)-oct-2-enoic acid substituted by hydroxy group at position 8 and methyl groups at positions 2 and 6 respectively (the 6R stereoisomer). Isolated from the Chinese herb Cistanche salsa, It exhibits anti-osteoporotic activity. It has a role as a metabolite and a bone density conservation agent. It is a monoterpenoid and a hydroxy monocarboxylic acid.

SMILES: C/C(=C\CC[C@@H](C)CCO)C(=O)O

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

InChI: InChI=1S/C10H18O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h5,8,11H,3-4,6-7H2,1-2H3,(H,12,13)/b9-5+/t8-/m1/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 1.9