ChemicalBook--->CAS DataBase List--->58749-22-7

58749-22-7

58749-22-7 Structure

58749-22-7 Structure
IdentificationBack Directory
[Name]

LICOCHALCONE-A
[CAS]

58749-22-7
[Synonyms]

LICOCHALCONE-A
7-Dimethoxycoumarin
4′,4-Dihydroxy-3-α,α-dimethylallyl-6-methoxychalcone
(E)-3-[5-(1,1-DIMETHYL-2-PROPENYL)-4-HYDROXY-2-METHOXYPHENYL]-1-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE
[EINECS(EC#)]

635-678-2
[Molecular Formula]

C21H22O4
[MDL Number]

MFCD01417903
[MOL File]

58749-22-7.mol
[Molecular Weight]

338.4
Chemical PropertiesBack Directory
[Melting point ]

100°
[Boiling point ]

532.6±50.0 °C(Predicted)
[density ]

1.171±0.06 g/cm3(Predicted)
[storage temp. ]

?20°C
[solubility ]

DMF:25.0(Max Conc. mg/mL);73.88(Max Conc. mM)
DMSO:37.67(Max Conc. mg/mL);111.31(Max Conc. mM)
Ethanol:43.5(Max Conc. mg/mL);128.54(Max Conc. mM)
[form ]

Yellow solid
[pka]

7.82±0.15(Predicted)
[color ]

Yellow-orange
[BRN ]

4534154
[InChI]

InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
[InChIKey]

KAZSKMJFUPEHHW-DHZHZOJOSA-N
[SMILES]

C(C1=CC=C(O)C=C1)(=O)/C=C/C1=CC(C(C)(C)C=C)=C(O)C=C1OC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22
[Safety Statements ]

36/37
[WGK Germany ]

3
[RTECS ]

UB8755000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

Yellow crystalline powder, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from the rhizome of licorice.
[Uses]

Licochalcone A is an estrogenic flavonoid that induces apoptosis in multiple types of cancer cells. Licochalcone A applied to bone marrow mesenchymal stem cells (BMSC)-aggregate has strong osteogenetic differentiation thus providing a promising strategy in treating osteoporotic weight-bearing bone fractures with defects.
[Definition]

ChEBI: Licochalcone A is a member of chalcones.
[General Description]

An estrogenic flavanoid with anti-tumor and anti-parasitic properties. Shown to reduce Bcl-2 protein expression and induce apoptosis in several human cancer cell lines. Also induces cell differentiation and enhances the effect of paclitaxel and vinblastine chemotherapy. Reported to interfere with parasite mitochondrial electron transport chain and energy metabolism.
[Biochem/physiol Actions]

Inhibits vegetative growth of spore-forming bacteria, B. subtilis and other food-contaminating microorganisms.
Spectrum DetailBack Directory
[Spectrum Detail]

LICOCHALCONE-A(58749-22-7)MS
LICOCHALCONE-A(58749-22-7)1HNMR
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