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3443-28-5 molecular structure
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3,5,7-trihydroxy-8-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

ChemBase ID: 304150
Molecular Formular: C17H14O7
Molecular Mass: 330.28886
Monoisotopic Mass: 330.07395279
SMILES and InChIs

SMILES:
c1(cc(c2c(c1OC)oc(c(c2=O)O)c1ccc(cc1)OC)O)O
Canonical SMILES:
COc1ccc(cc1)c1oc2c(OC)c(O)cc(c2c(=O)c1O)O
InChI:
InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,18-19,21H,1-2H3
InChIKey:
HLSIOUXODPWHFI-UHFFFAOYSA-N

Cite this record

CBID:304150 http://www.chembase.cn/molecule-304150.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5,7-trihydroxy-8-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
IUPAC Traditional name
prudomestin
Synonyms
3,5,7-Trihydroxy-4',8-dimethoxyflavone
Prudomestin
CAS Number
3443-28-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00240
Data Source Data ID Price
BioBioPha
BBP00240 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.9028525  H Acceptors
H Donor LogD (pH = 5.5) 2.4313593 
LogD (pH = 7.4) 1.8101737  Log P 2.4480877 
Molar Refractivity 85.8268 cm3 Polarizability 32.208668 Å3
Polar Surface Area 105.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Apperance
Yellow cryst. expand Show data source
Purity
97.0 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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