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520-32-1 molecular structure
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5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one

ChemBase ID: 129983
Molecular Formular: C17H14O7
Molecular Mass: 330.28886
Monoisotopic Mass: 330.07395279
SMILES and InChIs

SMILES:
COc1cc(cc(c1O)OC)c1cc(=O)c2c(cc(cc2o1)O)O
Canonical SMILES:
COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)cc(cc2O)O
InChI:
InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
InChIKey:
HRGUSFBJBOKSML-UHFFFAOYSA-N

Cite this record

CBID:129983 http://www.chembase.cn/molecule-129983.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one
IUPAC Traditional name
tricin
Synonyms
Tricetin 3',5'-dimethyl ether
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
Tricin
Tricin
CAS Number
520-32-1
PubChem SID
162224269
PubChem CID
5281702
CHEMBL
454320
Wikipedia Title
Tricin

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
BioBioPha
BBP01030 Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.573846  H Acceptors
H Donor LogD (pH = 5.5) 2.3563435 
LogD (pH = 7.4) 1.4453851  Log P 2.3913467 
Molar Refractivity 85.8403 cm3 Polarizability 32.199345 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 powder expand Show data source
Purity
98.5 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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