Basic information
- CAS
1251-84-9- Standard SMILES
COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC- InChIKey
CHXSDKWBSFDZEU-UHFFFAOYSA-N- Molecular formula
- C21H22O8
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.13146766
Overview
2-(3,4-dimethoxyphenyl)-3,5,6,7-tetramethoxy-1-benzopyran-4-one is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- Hexamethylquercetagetin
- IUPAC
- 2-(3,4-dimethoxyphenyl)-3,5,6,7-tetramethoxychromen-4-one
- English name
- Quercetagetin 3,5,6,7,3',4'-hexamethyl ether
- Molecular formula
- C21H22O8
- Molecular weight
- 402.39
Names & synonyms
HexamethylquercetagetinQuercetagetin hexamethyl etherOxyayanin B trimethyl etherHexa-O-methylquercetagetinNSC-6781084H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,6,7-tetramethoxy-UNII-5MF6VX27BO5MF6VX27BORefChem:388011251-84-93,5,6,7,3',4'-Hexamethoxyflavone3,3',4',5,6,7-Hexamethoxyflavone
Show more names
Quercetogetin4'-?Hexamethoxyflavone)3,5,6,7,3',4'-Hexamethoxyflavon(Synonyms: Hexa-O-methylquercetagetin
2-(3,4-dimethoxyphenyl)-3,5,6,7-tetramethoxychromen-4-oneNSC678108Quercetagenin hexamethylether2-(3,4-dimethoxyphenyl)-3,5,6,7-tetramethoxy-chromen-4-one2-(3,4-Dimethoxyphenyl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-oneFlavone, 3,3',4',5,6,7-hexamethoxy-Quercetagetin 3,5,6,7,3',4'-hexamethyl etherQuercitagetin hexamethyl ether
Database identifiers
- CAS
1251-84-9- PubChem CID
- 386331
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 605
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Melting Point142 - 143 °C
Physical DescriptionSolid
Collision Cross Section
191.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
206.47 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 142 · 142-144 °C(Solv: ethanol (64-17-5))
- Boiling point
- 580 · 580.0±50.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- water: slightly soluble
- form
- solid
- biological source
- plant
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesIt is a natural product derived from plant source th at finds application in compound screening libraries, metabolomics, phytochemical, and pharmaceutical research.
Suppliers41 total
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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