Basic information
- CAS
12619-61-3- Standard SMILES
COc1ccc(-c2oc3c(OC)c(OC)c(OC)cc3c(=O)c2OC)cc1- InChIKey
DGNOHOXRWCCDLK-UHFFFAOYSA-N- Molecular formula
- C20H20O7
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.12090297
Overview
Auranetin is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- Auranetin
- IUPAC
- 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
- English name
- AURANTINE
- Molecular formula
- C20H20O7
- Molecular weight
- 372.37
Names & synonyms
AuranetinAurantin522-16-73,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one6532ZBU2J5UNII-6532ZBU2J5FLAVONE, 3,4',6,7,8-PENTAMETHOXY-DTXSID409665754H-1-Benzopyran-4-one, 3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-3,4',6,7,8-Pentamethoxyflavone3,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one12619-61-3
Show more names
AURANTINE3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromone3,6,7,8-TETRAMETHOXY-2-(4-METHOXYPHENYL)- 4H-1-BENZOPYRAN-4-ONE
RefChem:115578DTXCID601394208610-798-8SCHEMBL29643349CHEBI:1757763,6,7,8,4'-pentamethoxyflavoneAAA52216LMPK12111612
Database identifiers
- CAS
12619-61-3、522-16-7- PubChem CID
- 10643
- DTXSID
DTXSID40966575- ChEBI
CHEBI:175776
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 553
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Melting Point141 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 421.84 °C · 421.84°C (rough estimate)
- Density
- 1.2457 · 1.2457 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6532 ZBU2J5 · 6532ZBU2J5
- Toxicity
- 10 mg/L · dnd-omi 10 mg/L BIORAK 39,587,74
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
- Toxicity
- dnd-omi 10 mg/L BIORAK 39,587,74
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers4 total
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
BOC Sciences[email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Additional notes
DefinitionChEBI: Auranetin is an ether and a member of flavonoids.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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