Basic information
- CAS
29215-55-2- Standard SMILES
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc(OC)c1OC- InChIKey
QULPQWKDDOBIOC-UHFFFAOYSA-N- Molecular formula
- C20H20O8
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.11581759
Overview
umuhengerin has been reported in Gardenia jasminoides, Murraya paniculata, and Lantana trifolia with data available.
Names & identifiers
- Preferred name
- Umuhengerin
- IUPAC
- 5-hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
- English name
- umuhengerin
- Molecular formula
- C20H20O8
- Molecular weight
- 388.37
Names & synonyms
Umuhengerin29215-55-25-Hydroxy-6,7,3',4',5'-pentamethoxyflavone5-Hydroxy-3',4',5',6,7-pentamethoxyflavone5-hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one4H-1-Benzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-FV67777M5ZDTXSID70183475RefChem:933790DTXCID801059665-Hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one4H-1-Benzopyran-4-one,5-hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-
Show more names
UNII-FV67777M5ZGRADENIN ACHEMBL485823orb1943862SCHEMBL16894613SCHEMBL29893822HY-N11127LMPK12111275
Database identifiers
- CAS
29215-55-2- PubChem CID
- 73648
- DTXSID
DTXSID70183475- ChEMBL
CHEMBL485823- UNII
- FV67777M5Z
- Nikkaji
- J752.939B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 565
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Melting point
- 130 · 130-132 °C(Solv: methanol (67-56-1))
- Boiling point
- 581.2 · 581.2±50.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- pka
- 6.29 · 6.29±0.40(Predicted)
- FDA UNII
- 67777 M5Z · FV67777M5Z
Chemistry & industry
Applications
UsesUmuhengerin is a methoxylated flavone. Umuhengerin can be isolated from Cardiospermum corindum L[1].
Upstream & downstream products
Downstream products
Suppliers1 total
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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