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

• ChemBase ID: 72960
• Molecular Formular: C15H12O8
• Molecular Mass: 320.25098
• Monoisotopic Mass: 320.05321734
• SMILES: c1(cc(c2c(c1)oc(c(c2=O)O)c1ccc(cc1O)O)O)O.O
• Canonical SMILES: Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O.O
• InChI: InChI=1S/C15H10O7.H2O/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;1H2
• InChIKey: MYUBTSPIIFYCIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate
• IUPAC Traditional name: bois d,arc hydrate
• Synonyms: Morin hydrate; Morin hydrate; 2′,3,4′,5,7-五羟黄酮; 桑色素 水合物

Database IDs

• CAS Number: 654055-01-3; 6202-27-3
• EC Number: 207-542-9
• MDL Number: MFCD00217054
• PubChem SID: 162037880; 24278552
• PubChem CID: 16219651

CALCULATED PROPERTIES

• Acid pKa: 6.428466
• H Acceptors: 7
• H Donor: 5
• LogD (pH = 5.5): 2.1080854
• LogD (pH = 7.4): 1.0575035
• Log P: 2.1562994
• Molar Refractivity: 76.8622 cm^3
• Polarizability: 28.418543 Å^3
• Polar Surface Area: 127.45 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: methanol: soluble50 mg/mL
• Apperance: yellow powder

Safety Information

• Storage Condition: -20°C
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Salt Data: hydrate

DETAILS

Selleck Chemicals - S2325

Research Area: Metabolic Disease
Biological Activity:
Morin hydrate(Aurantica) is a chemical compound. Morin can be used to test for the presence of aluminum or tin in a solution, since it forms characteristically fluorescent coordination complexes with them. [1]

Sigma Aldrich - M4008

Biochem/physiol Actions
Morin hydrate is a flavonoid with antioxidant properties. It has been shown to protect cells against oxygen radical damage.1 Morin not only scavenges oxyradicals, but also moderately inhibits xanthine oxidase, a free-radical generating enzyme.2 At concentrations of 75-100 micromolar, morin inhibits oxidation of low density lipoprotein (LDL) by free radicals or Cu2+.3 Morin has been reported to inhibit rat brain phospha-tidyl-inositol-phos-phate kinase activity in vitro and in vivo.4

REFERENCES

• ttp://en.wikipedia.org/wiki/Morin_hydrate