Basic information
- CAS
1486-66-4- Standard SMILES
COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC)c2c1=O- InChIKey
AOFQCVDYMNHCKD-UHFFFAOYSA-N- Molecular formula
- C17H14O7
- Average molar mass
- 330.29 g/mol
- Monoisotopic mass
- 330.07395278
Overview
Caryatin is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- 2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one
- IUPAC
- 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxychromen-4-one
- English name
- 3,5-Dimethoxy-7,3',4'-trihydroxyflavone
- Molecular formula
- C17H14O7
- Molecular weight
- 330.29
Names & synonyms
Caryatin1486-66-43,5-Di-O-methylquercetin2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-1-benzopyran-4-oneAT4UXB9ZR8DTXSID601640314H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-RefChem:1061007DTXCID30865222-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxychromen-4-one3,5-DIMETHOXY-7,3',4'-TRIHYDROXYFLAVONE2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-chromen-4-one
Show more names
3,5-dimethylquercetin3',4',7-Trihydroxy-3,5-dimethoxyflavone3,5-DIMETHOXY-7,3',4'-TRIHYDROXYFLAVONE USP/EP/BP
7,3',4'-Trihydroxy-3,5-dimethoxyflavoneQuercetin 3,5-dimethyl etherDi-O-Methylquercetin, 3,5-orb1680503CHEMBL2043331SCHEMBL11149169SCHEMBL30284949SCHEMBL31304741
Database identifiers
- CAS
1486-66-4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 517
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Melting Point299 - 301 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 268 °C · 268 °C
- Boiling point
- 658.9 · 658.9±55.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 6.46 · 6.46±0.40(Predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses7,3'',4''-Trihydroxy-3,5-dimethoxyflavone is an inhibitor of HIV-1 integrase from Dioscorea bulbifera.
Suppliers22 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [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]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海依赫生物科技有限公司
Related reactions
0 records
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Compound notes
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