5-Hexyloxy-3',4'-dihydroxy-6,7-dimethoxyflavone 4'-phosphate
Basic information
- CAS
111372-46-4- Standard SMILES
CCCCCCOc1c(OC)c(OC)cc2oc(-c3ccc(OP(=O)(O)O)c(O)c3)cc(=O)c12- InChIKey
WHFSJKCACRWVPW-UHFFFAOYSA-N- Molecular formula
- C23H27O10P
- Average molar mass
- 494.4 g/mol
- Monoisotopic mass
- 494.13418405
Names & identifiers
- Preferred name
- 5-Hexyloxy-3',4'-dihydroxy-6,7-dimethoxyflavone 4'-phosphate
- IUPAC
- [4-(5-hexoxy-6,7-dimethoxy-4-oxochromen-2-yl)-2-hydroxyphenyl] dihydrogen phosphate
- English name
- 5-hexyloxy-3',4'-dihydroxy-6,7-dimethoxyflavone 4'-phosphate
- Molecular formula
- C23H27O10P
- Molecular weight
- 494.43
Names & synonyms
HDDFP111372-46-4DTXSID201496075-Hexyloxy-3',4'-dihydroxy-6,7-dimethoxyflavone 4'-phosphate4H-1-Benzopyran-4-one, 5-(hexyloxy)-2-(3-hydroxy-4-(phosphonooxy)phenyl)-6,7-dimethoxy-RefChem:102718DTXCID70720984-(5-(Hexyloxy)-6,7-dimethoxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl dihydrogen phosphate{4-[5-(hexyloxy)-6,7-dimethoxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenoxy}phosphonic acid4-[5-(hexyloxy)-6,7-dimethoxy-4-oxo-4h-chromen-2-yl]-2-hydroxyphenyl dihydrogen phosphateSCHEMBL107191774-[5-(Hexyloxy)-6,7-dimethoxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl dihydrogen phosphate
Show more names
4H-1-Benzopyran-4-one, 5-(hexyloxy)-2-[3-hydroxy-4-(phosphonooxy)phenyl]-6,7-dimethoxy-
Database identifiers
- CAS
111372-46-4- PubChem CID
- 194902
- DTXSID
DTXSID20149607
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 752
Physicochemical properties
- Boiling point
- 716.5 · 716.5±70.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- pka
- 1.27 · 1.27±0.50(Predicted)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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