Basic information
- CAS
20869-95-8- Standard SMILES
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1- InChIKey
RJCJVIFSIXKSAH-UHFFFAOYSA-N- Molecular formula
- C17H14O6
- Average molar mass
- 314.29 g/mol
- Monoisotopic mass
- 314.07903816
Overview
3,4'-dimethylkaempferol is a dimethoxyflavone that is kaempferol in which the hydroxy groups at position 3 and 4' have been replaced by methoxy groups. It is a component of bee glue and isolated from several plant species including Tanacetum microphyllum. It has a role as an antineoplastic agent, an antimycobacterial drug, an anti-inflammatory agent, an apoptosis inducer and a plant metabolite. It is a dimethoxyflavone and a dihydroxyflavone. It is functionally related to a kaempferol.
Names & identifiers
- Preferred name
- Ermanin
- IUPAC
- 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
- English name
- 5,7-DIHYDROXY-3-METHOXY-2-(4-METHOXY-PHENYL)-CHROMEN-4-ONE
- Molecular formula
- C17H14O6
- Molecular weight
- 314.29
Names & synonyms
Ermanin20869-95-85,7-Dihydroxy-3,4'-dimethoxyflavone5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-oneKaempferol 3,4'-di-O-methyl etherNSC-31882850D90YJN35,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4-benzopyroneDTXSID90174986RefChem:921126DTXCID80974775,6-dihydroxy-3,4'-dimethoxyflavone
Show more names
NSC 31882Ermanin, 10 mM in DMSO3,4'-Dimethoxykaempferol3,4'-DIMETHOXY-5,7-DIHYDROXYFLAVONE5,7-DIHYDROXY-3-METHOXY-2-(4-METHOXY-PHENYL)-CHROMEN-4-ONE
244-093-85,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one3,4'-Dimethoxychrysin4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-Kaempferol-3,4'-dimethyletherKaempferol-3,4'-dimethyl ether3,4'-dimethylkaempferolNSC31882
Database identifiers
- CAS
20869-95-8- PubChem CID
- 5352001
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 234 °C · 234 °C
- Boiling point
- 552 · 552.0±50.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- solubility
- 20 mg/mlDMSO: · DMF: 20 mg/mlDMSO: 15 mg/ml
- pka
- 6.32 · 6.32±0.40(Predicted)
- LogP
- 2.4 · 2.400 (est)
- FDA UNII
- 850 D90YJN3 · 850D90YJN3
Chemistry & industry
Applications
UsesErmanin is a useful research chemical used in HIV-1 integrase inhibition. Ermanin exhibits actioxidant properties against peroxyl and hydroxyl radicals.
Upstream & downstream products
Downstream products
Suppliers43 total
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]
陕西缔都化学有限公司029-029-81123119 17391733320 · [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]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
金克隆（北京）生物技术有限公司400-910-1997 15330005590 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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