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83133-17-9 molecular structure
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5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one

ChemBase ID: 304925
Molecular Formular: C19H18O8
Molecular Mass: 374.34142
Monoisotopic Mass: 374.10016754
SMILES and InChIs

SMILES:
c1(c(c(c2c(c1)oc(cc2=O)c1cc(c(c(c1)OC)O)OC)O)OC)OC
Canonical SMILES:
COc1cc2oc(cc(=O)c2c(c1OC)O)c1cc(OC)c(c(c1)OC)O
InChI:
InChI=1S/C19H18O8/c1-23-13-5-9(6-14(24-2)17(13)21)11-7-10(20)16-12(27-11)8-15(25-3)19(26-4)18(16)22/h5-8,21-22H,1-4H3
InChIKey:
XEHLDSAKZSXOFK-UHFFFAOYSA-N

Cite this record

CBID:304925 http://www.chembase.cn/molecule-304925.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one
IUPAC Traditional name
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
Synonyms
4',5-Dihydroxy-3',5',6,7-tetramethoxyflavone
CAS Number
83133-17-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01273
Data Source Data ID Price
BioBioPha
BBP01273 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.856199  H Acceptors
H Donor LogD (pH = 5.5) 2.3776765 
LogD (pH = 7.4) 2.2451236  Log P 2.3795693 
Molar Refractivity 96.7858 cm3 Polarizability 36.64766 Å3
Polar Surface Area 103.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Yellow powder expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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