
Esculin
Esculin is a hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. It has a role as an antioxidant and a metabolite. It is a beta-D-glucoside and a hydroxycoumarin. It is functionally related to an esculetin. — ChEBI
- IUPAC name
- 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
- Molecular formula
- C15H16O9
- Molecular weight
- 340.28 g/mol
- Exact mass
- 340.07943208 Da
- XLogP3
- -0.6
- Topological polar surface area
- 146.0 Ų
- Hydrogen-bond donors
- 5
- Hydrogen-bond acceptors
- 9
- Covalent units
- 1
- Defined stereocentres
- 5
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:4853
- ChEMBL:CHEMBL482581
- EPA DTXSID:DTXSID7045318
- PubMed:27038404
- PubMed:22878250
- PubMed:22858579
- PubMed:22736101
- PubMed:22675603
- PubMed:22675588
- PubMed:22643053
- PubMed:22606036
- PubMed:22529844
- PubMed:22523469
- PubMed:22428019
- PubMed:22276121
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.