Structure via PubChem · Public domain (PubChem)
rhein
Sign in to saveAlso known as cassic acid, Rhubarb Yellow, monorhein, rheic acid, chrysazin-3-carboxylic acid
chemical compound
Chemical data
- Formula
- C15H8O6
- Molecular weight
- 284.22 g/mol
- IUPAC name
- 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
- SMILES
- C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O
- InChIKey
- FCDLCPWAQCPTKC-UHFFFAOYSA-N
- XLogP
- 2.2
- Polar surface area
- 112 Ų
- H-bond donors
- 3
- H-bond acceptors
- 6
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 284.032
Show 5 more facts
- found in taxon
- Rheum rhaponticum
- canonical SMILES
- C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)C(=O)O)O
- chemical formula
- C₁₅H₈O₆
- subject has role
- enzyme inhibitor
- Commons category
- Cassic acid
via Wikidata · CC0