Basic information
- CAS
6889-80-1- Standard SMILES
COc1ccc(-c2oc3ccccc3c(=O)c2O)cc1OC- InChIKey
BXLAVJWSFYZDPF-UHFFFAOYSA-N- Molecular formula
- C17H14O5
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.08412354
Names & identifiers
- Preferred name
- 3',4'-Dimethoxyflavonol
- IUPAC
- 2-(3,4-dimethoxyphenyl)-3-hydroxychromen-4-one
- English name
- 2-(3,4-diMethoxyphenyl)-3-hydroxy-4H-chroMen-4-one
- Molecular formula
- C17H14O5
- Molecular weight
- 298.29
Names & synonyms
6889-80-13',4'-dimethoxyflavonol3-HYDROXY-3',4'-DIMETHOXYFLAVONE2-(3,4-dimethoxyphenyl)-3-hydroxychromen-4-one9B35R9JIHANSC-102051RefChem:10653872-(3,4-Dimethoxyphenyl)-3-hydroxy-4H-chromen-4-oneNSC 1020513',4'-Dimethoxy-3-hydroxyflavone4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-hydroxy-NSC102051
Show more names
2-(3,4-Dimethoxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one
UNII-9B35R9JIHASpectrum2_001702Spectrum3_001681BSPBio_003202CHEMBL77098SPECTRUM1505278SPBio_001684SCHEMBL4285872
Database identifiers
- CAS
6889-80-1- PubChem CID
- 97143
- DTXSID
DTXSID20218968- ChEMBL
CHEMBL77098- UNII
- 9B35R9JIHA
- Nikkaji
- J1.415.485J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Experimental & physicochemical properties
LogP4.17
Collision Cross Section
164.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
163.78 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Light yellow to yellow Solid
- FDA UNII
- 9 B35R9JIHA · 9B35R9JIHA
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-(3,4-Dimethoxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one is a flavonoid that can act as a possible inhibitor of α-Glucosidase and an anticancer agent.
Suppliers26 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
苏州三易聚合化学科技有限公司13951113810 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海升华医药科技有限公司021-50793966 18917198199 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
广州市慈铭生物科技有限公司020-38082199,29065168,38082986,29878298,29866629,4000192398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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