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21634-52-6 molecular structure
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3,5,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one

ChemBase ID: 304303
Molecular Formular: C22H24O9
Molecular Mass: 432.42056
Monoisotopic Mass: 432.14203235
SMILES and InChIs

SMILES:
c1(cc(c2c(c1OC)oc(c(c2=O)OC)c1cc(c(c(c1)OC)OC)OC)OC)OC
Canonical SMILES:
COc1cc(cc(c1OC)OC)c1oc2c(OC)c(OC)cc(c2c(=O)c1OC)OC
InChI:
InChI=1S/C22H24O9/c1-24-12-10-15(27-4)20(29-6)21-16(12)17(23)22(30-7)18(31-21)11-8-13(25-2)19(28-5)14(9-11)26-3/h8-10H,1-7H3
InChIKey:
AFQWYRUBZJYCIF-UHFFFAOYSA-N

Cite this record

CBID:304303 http://www.chembase.cn/molecule-304303.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
IUPAC Traditional name
hibiscetin heptamethyl ether
Synonyms
3,5,7,8,3',4',5'-Heptamethoxyflavone
CAS Number
21634-52-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00446
Data Source Data ID Price
BioBioPha
BBP00446 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8873606  LogD (pH = 7.4) 1.8873606 
Log P 1.8873606  Molar Refractivity 112.469 cm3
Polarizability 43.001415 Å3 Polar Surface Area 90.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Apperance
Cryst. 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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