Molecule ID: 121475

IUPAC Name: (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

Description: The molecule is a monoterpenoid with an epoxy-bridged bicyclic dicarboxylic acid structure, which acts as an inhibitor of protein phosphatases 1 and 2A. It has a role as an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor, a hepatotoxic agent and an apoptosis inducer. It is a monoterpenoid, a dicarboxylic acid, a bridged compound and an oxabicycloalkane. It derives from a cantharidin.

SMILES: C[C@]1(C(=O)O)[C@@H]2CC[C@@H](O2)[C@@]1(C)C(=O)O

SELFIES: [C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][C][C][C@@H1][Branch1][Ring2][O][Ring1][Branch1][C@@][Ring1][#Branch2][Branch1][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,9+,10-

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 0.3