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25739-41-7 molecular structure
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5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-one

ChemBase ID: 305012
Molecular Formular: C17H14O6
Molecular Mass: 314.28946
Monoisotopic Mass: 314.07903817
SMILES and InChIs

SMILES:
c1(cc(c2c(c1)oc(cc2=O)c1cc(c(cc1)O)OC)O)OC
Canonical SMILES:
COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)OC)O
InChI:
InChI=1S/C17H14O6/c1-21-10-6-12(19)17-13(20)8-14(23-16(17)7-10)9-3-4-11(18)15(5-9)22-2/h3-8,18-19H,1-2H3
InChIKey:
ROCUOVBWAWAQFD-UHFFFAOYSA-N

Cite this record

CBID:305012 http://www.chembase.cn/molecule-305012.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-one
IUPAC Traditional name
velutin
Synonyms
4',5-Dihydroxy-3',7-dimethoxyflavone
Velutin
CAS Number
25739-41-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01382
Data Source Data ID Price
BioBioPha
BBP01382 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.3593674  H Acceptors
H Donor LogD (pH = 5.5) 2.6889966 
LogD (pH = 7.4) 2.3733752  Log P 2.694912 
Molar Refractivity 83.8594 cm3 Polarizability 31.552273 Å3
Polar Surface Area 85.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Apperance
Yellow powder expand Show data source
Purity
98.5 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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