Home > Compound List > Compound details
21913-98-4 molecular structure
click picture or here to close

7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

ChemBase ID: 306217
Molecular Formular: C16H12O5
Molecular Mass: 284.26348
Monoisotopic Mass: 284.06847348
SMILES and InChIs

SMILES:
c1(ccc2c(c1)occ(c2=O)c1ccc(c(c1)OC)O)O
Canonical SMILES:
COc1cc(ccc1O)c1coc2c(c1=O)ccc(c2)O
InChI:
InChI=1S/C16H12O5/c1-20-15-6-9(2-5-13(15)18)12-8-21-14-7-10(17)3-4-11(14)16(12)19/h2-8,17-18H,1H3
InChIKey:
MUYAUELJBWQNDH-UHFFFAOYSA-N

Cite this record

CBID:306217 http://www.chembase.cn/molecule-306217.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
IUPAC Traditional name
3'-methoxydaidzein
Synonyms
3'-Methoxydaidzein
CAS Number
21913-98-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP02994
Data Source Data ID Price
BioBioPha
BBP02994 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.4774  H Acceptors
H Donor LogD (pH = 5.5) 2.5295832 
LogD (pH = 7.4) 1.6222067  Log P 2.5727665 
Molar Refractivity 76.1652 cm3 Polarizability 29.012106 Å3
Polar Surface Area 75.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Powder expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle