3-Hydroxy-3'-methoxyflavone
Basic information
- CAS
76666-32-5- Standard SMILES
COc1cccc(-c2oc3ccccc3c(=O)c2O)c1- InChIKey
GYLGASXCHFNKHD-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- 3-Hydroxy-3'-methoxyflavone
- IUPAC
- 3-hydroxy-2-(3-methoxyphenyl)chromen-4-one
- English name
- 3-Hydroxy-3'-methoxyflavone
- Molecular formula
- C16H12O4
- Molecular weight
- 268.26
Names & synonyms
76666-32-53-HYDROXY-3'-METHOXYFLAVONE3-hydroxy-2-(3-methoxyphenyl)chromen-4-oneDTXSID30350267RefChem:1067942DTXCID903013363'-methoxyflavonol3-hydroxy-3-methoxyflavone3-hydroxy-2-(3-methoxyphenyl)-4H-chromen-4-oneTNP00047MFCD00017730hydroxy-3'-methoxyflavone
Show more names
3-hydroxy-3'-methoxyone3''-Methoxyflavonol, 10 mM in DMSO3-Hydroxy-3′-methoxyflavone, CAS 76666-32-54H-1-Benzopyran-4-one, 3-hydroxy-2-(3-methoxyphenyl)-3'-Methoxyflavonol,3'Methoxyflavonol,Inhibitor,3' Methoxyflavonol,inhibit
CHEMBL272005orb1299278SCHEMBL4649962SCHEMBL30667386GYLGASXCHFNKHD-UHFFFAOYSA-NHY-N6629NSC792747AKOS024282381
Database identifiers
- CAS
76666-32-5- PubChem CID
- 676296
- DTXSID
DTXSID30350267- ChEMBL
CHEMBL272005- EC Number
- 676-887-9
- Nikkaji
- J2.633.788G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Melting point
- 130 · 130-131°C
- form
- Solid
- color
- Light yellow to yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Pharmacology
Metabolism/Metabolites3-Hydroxy-3p-methoxyflavone has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-(3-methoxyphenyl)-4-oxochromen-3-yl]oxyoxane-2-carboxylic acid.
Applications
Uses3''-Methoxyflavonol, is a selective agonist of neuromedin U 2 receptor (NMU2R).
Suppliers
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Related reactions
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Compound notes
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