CAS 480-16-0|CAS 654055-01-3|MORIN, REAGENT GRADE|bois d,arc|Calico Yellow|Morin hydrate|<i>Toxylon pomiferum</i>|Osage orange extract|Aurantica|Morin (flavonol)|Bois d'arc|2-(2,4-dihydroxyphenyl)-3...

General Information

Structure

Molecular Formula

C₁₅H₁₀O₇

Molecular Mass

302.2357

Exact Mass

302.04265266

Charge

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

Canonic Smiles

Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O

Isomeric Smiles

o1c2c(c(cc(c2)O)O)c(=O)c(c1c1c(cc(cc1)O)O)O

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

Polarizability

28.418543

Polar Surface Area

127.45

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

MORIN, REAGENT GRADEToxylon pomiferumCalico YellowMorin (flavonol)Osage orange extractAuranticaMorin hydrateBois d'arcAl-Morin2',4',5,7-Tetrahydroxyflavonol; 2'-Hydroxypelargidenolon 1522MorinC.I. Natural yellow 8C.I. Natural yellow 112′,3,4′,5,7-五羟黄酮2′,3,4′,5,7-PentahydroxyflavoneMorin桑色素铝离子载体 IAluminum Ionophore IMorin

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

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

PubChem SID

MDL Number

EC Number

IUPHAR ligand ID

KEGG ID

Chemspider ID

CHEMBL

Wikipedia Title

Registration numbers

Properties

Physical Property

1.799 g/mL

Pharmacology Properties

Lipid-peroxidation inhibitor in rat liver microsomes

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02155733

C.I. 75660 (2',3,4',5,7-Pentahydroxyflavone)

05204582

MP Biomedicals Rare Chemical collection

Wikipedia

Morin_(flavonol)

Sigma Aldrich

55593

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

Molecule Details

References

PubChem Literature

From Data Sources

• von Kostanecki, S. et al., Ber., 1906, 39, 625; 4014; 4022, (synth)

• Robinson, R. et al., J.C.S., 1929, 61

• Dave, K.G. et al., Tet. Lett., 1962, 9, (isol)

• 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)

• Perkin, W.H. et al., J.C.S., 1895, 67, 649; 1896, 69, 792, (isol, struct)

• 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)

• Batterham, T.J. et al., Aust. J. Chem., 1964, 17, 428, (pmr)

• Cody, V. et al., J. Mol. Struct., 1994, 317, 89, (cryst struct)

• Aldrich Library of FT-IR Spectra, 1st edn., 1985, 2, 96C, (ir)

• Kovalev, I.P. et al., Zh. Obshch. Khim., 1963, 33, 1670, (ir)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, MRN500

• Mirenskaya, I.I. et al., Khim. Prir. Soedin., 1970, 6, 767; Chem. Nat. Compd. (Engl. Transl.), 1970, 6, 781, (uv, purifn)

• Onishi, H., Photometric Determination of Traces of Metals, Part IIb: Individual Metals. Magnesium to Zinc, John Wiley, New York, 4th Ed., 1989, 765

• Perkins, R.W. et al., Anal. Chem., 1956, 28, 1898, (detn, Th)

• Fieser and Fieser's Reagents for Organic Synthesis, Wiley, 1967, 1, 20

• Sasaki, S. et al., Yakugaku Zasshi, 1966, 86, 869, (isol)

• Shnaiderman, S.Ya. et al., Zh. Anal. Khim., 1970, 25, 2368, (detn, V)

• Ono, K., Eur. J. Biochem., 1990, 190, 469, (anti-HIV activity)

References

Bioactivity

PubChem BioAssay

Bioactivity