Wogonin
- Iupac Name：5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
- CAS No.: 632-85-9
- Molecular Weight：284.267
- Modify Date.: 2022-11-29 07:50
- Introduction:
Wogonin is a naturally occurring mono-flavonoid, can inhibit the activity of CDK8 and Wnt, and exhibits anti-inflammatory and anti-tumor effects.
Wogonin is a dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. It has a role as a cyclooxygenase 2 inhibitor, an antineoplastic agent, an angiogenesis inhibitor and a plant metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It is a conjugate acid of a wogonin(1-).
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1. Names and Identifiers
- 1.1 Name
- Wogonin
- 1.2 Synonyms
4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl- 5,7-dihydroxy-8-methoxy-2-phenyl-4h-1-benzopyran-4-on 5,7-dihydroxy-8-methoxy-2-phenyl-4h-1-benzopyran-4-one 5,7-DIHYDROXY-8-METHOXYFLAVON 5,7-DIHYDROXY-8-METHOXYFLAVONE Flavone, 5,7-dihydroxy-8-methoxy- vogonin WOGONIN Wogonin 632-85-9 Wogonin, S. baicalensis - CAS 632-85-9 - Calbiochem
- 1.3 CAS No.
- 632-85-9
- 1.4 CID
- 5281703
- 1.5 EINECS(EC#)
- 1592732-453-0
- 1.6 Molecular Formula
- C16H12O5 (isomer)
- 1.7 Inchi
- InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3
- 1.8 InChkey
- XLTFNNCXVBYBSX-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O
- 1.10 Isomers Smiles
- COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O
2. Properties
- 2.1 Density
- 1.42
- 2.1 Melting point
- 203-206℃
- 2.1 Boiling point
- 518.8 oC at 760 mmHg
- 2.1 Refractive index
- 1.668
- 2.1 Flash Point
- 198.3 oC
- 2.1 Precise Quality
- 284.06800
- 2.1 PSA
- 79.90000
- 2.1 logP
- 2.87980
- 2.1 Solubility
- Soluble in DMSO (10mg/ml)
- 2.2 Λmax
- 319nm(EtOH)(lit.)
- 2.3 Appearance
- yellow crystal
- 2.4 Color/Form
- Yellow powder
- 2.5 pKa
- 6.83±0.40(Predicted)
- 2.6 Water Solubility
- DMSO: ≥20mg/mL
- 2.7 StorageTemp
- 0-10°C
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. WogoninSupplier
4. Safety and Handling
- 4.1 Safety Statements
- 24/25
- 4.1 Hazard Class
- 8
- 4.1 RIDADR
- 3145
- 4.1 WGK Germany
- 3
- 4.1 RTECS
- SJ8922500
- 4.1 Safety
-
RTECS of 4H-1-Benzopyran-4-one,5,7-dihydroxy-8-methoxy-2-phenyl- (CAS NO.632-85-9): LK8331000
- 4.2 Specification
-
4H-1-Benzopyran-4-one,5,7-dihydroxy-8-methoxy-2-phenyl- , its cas register number is 632-85-9. It also can be called 5,7-Dihydroxy-8-methoxyflavone ; 5-18-04-00571 (Beilstein Handbook Reference) ; BRN 0287152 ; Vogonin ;
Wogonin . 4H-1-Benzopyran-4-one,5,7-dihydroxy-8-methoxy-2-phenyl- (CAS NO.632-85-9) is an O-methylated flavone, a flavonoid-like chemical compound which was found in Scutellaria baicalensis. The glycosides of wogonin are known as wogonosides.
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
7. Synthesis Route
632-85-9Total: 16 Synthesis Route
9. Other Information
- 9.0 Metabolism
- Wogonin has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid.
- 9.1 Mesh Entry Terms
- 5,7-dihydroxy-8-methoxyflavone
- 9.2 Use Classification
- Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
10. Computational chemical data
- Molecular Weight: 284.267g/mol
- Molecular Formula: C16H12O5
- Compound Is Canonicalized: True
- XLogP3-AA: 3
- Exact Mass: 284.06847348
- Monoisotopic Mass: 284.06847348
- Complexity: 426
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 76
- Heavy Atom Count: 21
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGiMgNJzaGNRqCeWOl4BULuQfK7LzOIQABCAAIQABCAAIQABCAAAAAAAAAAA==
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- Purity:99%Packing: 200kg/bag FOB
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- Time: 2023/04/27
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- Purity:99%Packing: 200kg/bag FOB
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- Time: 2023/05/31
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