Basic information
- CAS
21849-70-7- Standard SMILES
O=C(C=Cc1ccc(O)c(O)c1)c1ccc(O)cc1O- InChIKey
AYMYWHCQALZEGT-UHFFFAOYSA-N- Molecular formula
- C15H12O5
- Average molar mass
- 272.25 g/mol
- Monoisotopic mass
- 272.06847348
Overview
1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one has been reported in Bidens parviflora, Alpinia japonica, and other organisms with data available.
Names & identifiers
- Preferred name
- 1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one
- IUPAC
- 1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
- English name
- BUTEIN
- Molecular formula
- C15H12O5
- Molecular weight
- 272.25
Names & synonyms
1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one21849-70-72',3,4,4'-tetrahydroxy Chalcone1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-oneMolMap_000005SCHEMBL505501SCHEMBL30383523AYMYWHCQALZEGT-UHFFFAOYSA-NDTXSID501305216HMS3653H04s80363,4,2a(2),4a(2)-Tetrahydroxychalcone
Show more names
BUTEINC08578NSC 6528922',3,4,4'-TETRAHYDROCHALCONE3,4,2',4'-TETRAHYDROXYCHALCONE2',4',3,4-TETRAHYDROXYCHALCONE2',3,4,4'-TETRAHYDROXYCHALCONE2’,4’-dihydroxy-3-(3,4-dihydroxyphenyl)-acrylophenon1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-on
NCI60_018489DB-083020NS00018353Q27164063
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 250 · 250-252℃
- Boiling point
- 560.9 · 560.9±50.0 °C(Predicted)
- Density
- 1.483 · 1.483±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- 50 mg/mL · DMSO: >50 mg/mL
- form
- solid
- pka
- 7.34 · 7.34±0.35(Predicted)
- color
- yellow
- FDA UNII
- 4 WVS5M0LGF · 4WVS5M0LGF
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Applications
UsesButrin, isobutrin, and butein from medicinal plant Butea monosperma selectively inhibit nuclear factor-κB in activated human mast cells: suppression of tumor necrosis factor-α, interleukin (IL)-6, and IL-8. Anti-inflammatory agent.
Suppliers1 total
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
Additional notes
DefinitionChEBI: Butein is a chalcone that is (E)-chalcone bearing four additional hydroxy substituents at positions 2', 3, 4 and 4'. It has a role as a tyrosine kinase inhibitor, an antioxidant, an EC 1.1.1.21 (aldehyde reductase) inhibitor, an antineoplastic agent, a geroprotector, a radiosensitizing agent, a hypoglycemic agent and a plant metabolite. It is a member of chalcones and a polyphenol.
Related reactions
2 records
Compound notes
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