Home > Compound List > Compound details
654055-01-3 molecular structure
click picture or here to close

2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one

ChemBase ID: 74436
Molecular Formular: C15H10O7
Molecular Mass: 302.2357
Monoisotopic Mass: 302.04265266
SMILES and InChIs

SMILES:
o1c2c(c(cc(c2)O)O)c(=O)c(c1c1c(cc(cc1)O)O)O
Canonical SMILES:
Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O
InChI:
InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
InChIKey:
YXOLAZRVSSWPPT-UHFFFAOYSA-N

Cite this record

CBID:74436 http://www.chembase.cn/molecule-74436.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
IUPAC Traditional name
bois d,arc
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
Synonyms
Morin
MORIN, REAGENT GRADE
Aurantica
Al-Morin
Morin hydrate
Calico Yellow
Toxylon pomiferum
Bois d'arc
2′,3,4′,5,7-Pentahydroxyflavone
Morin
Aluminum Ionophore I
2',4',5,7-Tetrahydroxyflavonol; 2'-Hydroxypelargidenolon 1522
C.I. Natural yellow 8
C.I. Natural yellow 11
Morin
Osage orange extract
Morin (flavonol)
2′,3,4′,5,7-五羟黄酮
桑色素
铝离子载体 I
CAS Number
654055-01-3
480-16-0
EC Number
207-542-9
MDL Number
MFCD00006826
PubChem SID
162039355
PubChem CID
5281670
CHEMBL
28626
Chemspider ID
4444989
IUPHAR ligand ID
411
KEGG ID
C10105
Wikipedia Title
Morin_(flavonol)

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.428466  H Acceptors
H Donor LogD (pH = 5.5) 2.1080854 
LogD (pH = 7.4) 1.0575035  Log P 2.1562994 
Molar Refractivity 76.8622 cm3 Polarizability 28.418543 Å3
Polar Surface Area 127.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Density
1.799 g/mL expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
LK8749000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
25 expand Show data source
Safety Statements
45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301 expand Show data source
GHS Precautionary statements
P301 + P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
Mechanism of Action
Lipid-peroxidation inhibitor in rat liver microsomes expand Show data source
Grade
REAGENT expand Show data source
Selectophore™ expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Biological Source
Constit. of various woods, e.g. Morus alba. First isol. in 1830 expand Show data source
Application(s)
Antiinflammatory expand Show data source
Bioflavonoid expand Show data source
Shows antiperoxidative activity in vitro and anti-HIV activity expand Show data source
Quality
function tested expand Show data source
Empirical Formula (Hill Notation)
C15H10O7 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02155733 external link
C.I. 75660 (2',3,4',5,7-Pentahydroxyflavone)
MP Biomedicals - 05204582 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 55593 external link
Application
Application as aluminum(III) selective potentiometric sensor1
General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Aldrich Library of FT-IR Spectra, 1st edn., 1985, 2, 96C, (ir)
  • • Perkin, W.H. et al., J.C.S., 1895, 67, 649; 1896, 69, 792, (isol, struct)
  • • von Kostanecki, S. et al., Ber., 1906, 39, 625; 4014; 4022, (synth)
  • • Robinson, R. et al., J.C.S., 1929, 61
  • • Perkins, R.W. et al., Anal. Chem., 1956, 28, 1898, (detn, Th)
  • • Dave, K.G. et al., Tet. Lett., 1962, 9, (isol)
  • • Kovalev, I.P. et al., Zh. Obshch. Khim., 1963, 33, 1670, (ir)
  • • Batterham, T.J. et al., Aust. J. Chem., 1964, 17, 428, (pmr)
  • • Sasaki, S. et al., Yakugaku Zasshi, 1966, 86, 869, (isol)
  • • Fieser and Fieser's Reagents for Organic Synthesis, Wiley, 1967, 1, 20
  • • Mirenskaya, I.I. et al., Khim. Prir. Soedin., 1970, 6, 767; Chem. Nat. Compd. (Engl. Transl.), 1970, 6, 781, (uv, purifn)
  • • Shnaiderman, S.Ya. et al., Zh. Anal. Khim., 1970, 25, 2368, (detn, V)
  • • Blank, A.B. et al., Zh. Anal. Khim., 1973, 28, 1331; 1976, 31, 703; 1978, 33, 65, (detn, Zr, rare earths)
  • • Olenovich, N.L. et al., Zh. Anal. Khim., 1974, 29, 47, (detn, In)
  • • Chang, C.-J., J. Nat. Prod., 1978, 41, 17, (cmr)
  • • Yinon, J. et al., Org. Mass Spectrom., 1978, 13, 167, (ms)
  • • Khosa, R.L. et al., Chem. Ind. (London), 1984, 881, (deriv)
  • • Cody, V. et al., Plant Flavonoids in Biology and Medicine II, A.R. Liss, N.Y., 1988, (biochem)
  • • Onishi, H., Photometric Determination of Traces of Metals, Part IIb: Individual Metals. Magnesium to Zinc, John Wiley, New York, 4th Ed., 1989, 765
  • • Ono, K., Eur. J. Biochem., 1990, 190, 469, (anti-HIV activity)
  • • Cody, V. et al., J. Mol. Struct., 1994, 317, 89, (cryst struct)
  • • Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, MRN500
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle