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632-85-9 molecular structure
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5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one

ChemBase ID: 130193
Molecular Formular: C16H12O5
Molecular Mass: 284.26348
Monoisotopic Mass: 284.06847348
SMILES and InChIs

SMILES:
COc1c(cc(c2c1oc(cc2=O)c1ccccc1)O)O
Canonical SMILES:
COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O
InChI:
InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3
InChIKey:
XLTFNNCXVBYBSX-UHFFFAOYSA-N

Cite this record

CBID:130193 http://www.chembase.cn/molecule-130193.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one
IUPAC Traditional name
wogonin
Synonyms
Vogonin
Norwogonin 8-methyl ether
5,7-dihydroxy-8-methoxyflavone
Wogonin
Wogonin
CAS Number
632-85-9
PubChem SID
162224477
PubChem CID
5281703
CHEMBL
16171
Wikipedia Title
Wogonin

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
BioBioPha
BBP00338 Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.0982313  H Acceptors
H Donor LogD (pH = 5.5) 2.8418455 
LogD (pH = 7.4) 2.3678265  Log P 2.8525832 
Molar Refractivity 77.3962 cm3 Polarizability 29.0158 Å3
Polar Surface Area 75.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Apperance
Yellow powder expand Show data source
Melting Point
203–206 °C expand Show data source
Purity
96.5 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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