Cirsiliol
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Basic information
- CAS
34334-69-5- Standard SMILES
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OC- InChIKey
IMEYGBIXGJLUIS-UHFFFAOYSA-N- Molecular formula
- C17H14O7
- Average molar mass
- 330.292 g/mol
- Monoisotopic mass
- 330.07395279
Names & identifiers
- Preferred name
- Cirsiliol
- IUPAC
- 2-(3,4-Dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one
- English name
- 6,7-DIMETHOXY-3',4',5-TRIHYDROXYFLAVONE
- Molecular formula
- C17H14O7
- Molecular weight
- 330.29
Names & synonyms
CIRSILIOLCrisiliolCirsiliol - Bio-X ?Cirsiliol >=95% (HPLC)3'-Hydroxy-6-methoxygenkwanin3',4',5-Trihydroxy-6,7-dimethoxy6-Methoxyluteolin 7-methyl ether6-Hydroxyluteolin-6,7-dimethyl ether6,7-DIMETHOXY-5,3',4'-TRIHYDROXYFLAVONE6,7-DIMETHOXY-3',4',5-TRIHYDROXYFLAVONE
Database identifiers
- CAS
34334-69-5- PubChem CID
- 160237
- DTXSID
DTXSID60187907- ChEMBL
CHEMBL72637- ChEBI
CHEBI:3719- UNII
- 8W4Y5JK3XE
- EC Number
- 809-104-8
- Nikkaji
- J94.517J
Properties
Physicochemical properties
- Melting point
- 280 · 280-281.5℃ (methanol )
- Boiling point
- 616.1 · 616.1±55.0 °C(Predicted)
- Density
- 1.483 · 1.483±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Acetone: soluble; Chloroform: soluble; DMSO: soluble
- form
- powder
- pka
- 6.31 · 6.31±0.40(Predicted)
- color
- white to beige
- InChI
- 1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3
- InChIKey
- IMEYGBIXGJLUIS-UHFFFAOYSA-N
- SMILES
- [o]1c2c([c](cc1c3cc(c(cc3)O)O)=O)c(c(c(c2)OC)OC)O
- FDA UNII
- 8 W4Y5JK3XE · 8W4Y5JK3XE
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
- RTECS
- 3011100 · DJ3011100
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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
- rtecs
- DJ3011100
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesCirsiliol is a potent and selective 5-lipoxygenase inhibitor and a competitive low affinity benzodiazepine receptor ligand.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: A dimethoxyflavone that is flavone substituted by methoxy groups at positions 6 and 7 and hydroxy groups at positions 5, 3' and 4' respectively.
Suppliers
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Compound notes
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