Products 289030-99-5

CAS 289030-99-5 appears in our catalog under these names: Oleocanthal, 5 mg, Oleocanthal, Oleocanthal, 97.00%, Oleocanthal, 99.0%, Oleocanthal, 2 mg. Offered by: Roth, TRC, Biosynth, Chemat, MedChemExpress. Available pack sizes: 5mg, 0,5mg, 1mg, 2mg, 25mg, 10mg, 5 mg.

Structural formula: {0} (CAS {1})

Oleocanthal is a carboxylic ester that is the 2-(p-hydroxyphenyl)ethyl ester of (3S)-4-formyl-3-(2-oxoethyl)hex-4-enoic acid. Oleocanthal is found in olive oil but it is not clear whether the natural product is a mixture of E/Z isomers or a single isomer as the two isomers readily interconvert in solution; most pharmacological studies will have been performed using a mixture. It has a role as an antioxidant, a non-steroidal anti-inflammatory drug, an antineoplastic agent, a cyclooxygenase 2 inhibitor, a cyclooxygenase 1 inhibitor, a nutraceutical, a neuroprotective agent, a Hsp90 inhibitor, an anti-inflammatory agent, an apoptosis inducer and a plant metabolite. It is a carboxylic ester, a member of phenols, a dialdehyde and an enal. It is functionally related to a 2-(4-hydroxyphenyl)ethanol.

Source: ChEBI

Identity
Molecular formulaC17H20O5
Molecular weight304.34 g/mol
IUPAC name2-(4-hydroxyphenyl)ethyl (E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate
InChIKeyVPOVFCBNUOUZGG-VAKDEWRISA-N
SMILESC/C=C(/C=O)\[C@@H](CC=O)CC(=O)OCCC1=CC=C(C=C1)O

Computed by PubChem (NCBI)