ChemicalBook--->CAS DataBase List--->6468-55-9

6468-55-9

6468-55-9 Structure

6468-55-9 Structure
IdentificationBack Directory
[Name]

demethylwedelolactone
[CAS]

6468-55-9
[Synonyms]

Norwedelolactone
demethylwedelolactone
DesMethylwedelolactone
IsodeMethyl-wedelolactone
1,3,8,9-TetrahydroxycouMestan
1,3,8,9-Tetrahydroxy-6H-benzofuro-[3,2-c]chromen-6-one
Demethylwedelolactone, 98%, from Eclipta prostrata (L. ) L.
1,3,8,9-Tetrahydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
6H-Benzofuro[3,2-c][1]benzopyran-6-one, 1,3,8,9-tetrahydroxy-
[Molecular Formula]

C15H8O7
[MDL Number]

MFCD09264645
[MOL File]

6468-55-9.mol
[Molecular Weight]

300.221
Chemical PropertiesBack Directory
[Melting point ]

>360 °C
[Boiling point ]

531.4±35.0 °C(Predicted)
[density ]

1.827±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

powder
[pka]

7.07±0.20(Predicted)
[color ]

Yellow
[InChI]

InChI=1S/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H
[InChIKey]

LUTYTNLPIUCKBJ-UHFFFAOYSA-N
[SMILES]

C1(=O)OC2=CC(O)=CC(O)=C2C2OC3=CC(O)=C(O)C=C3C1=2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
Hazard InformationBack Directory
[Chemical Properties]

Black crystalline powder, soluble in organic solvents such as methanol, ethanol, and DMSO. It is derived from the fresh leaves of Eclipta prostrata, Wedelia calendulacea Less., and the whole herb of Hypericum erectum Thunb.
[Uses]

1,3,8,9-Tetrahydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one has anti-cancer properties and inhibits the anchorage-independent growth and suppressed cell motility and cell invasion of MDA-MB-231.
[Definition]

ChEBI: Demethylwedelolactone is a member of coumestans.
[Biological Activity]

Demethylwedelolactone is a coumestan extracted from Eclipta alba th at exhibits numerous biological activities including anti-inflammatory and hepato-protective. Demethylwedelolactone inhibits MDA-MB-231 breast cancer cells motility and invasiveness. It suppresses the metastasis and lung colonization of the tumor cells in the nude mice. Both demethylwedelolactone and wedelolactone appear to attenuate cigarette smoking extract induced inflammation through blockade of autophagy flux in respiratory epithelial cells.
Spectrum DetailBack Directory
[Spectrum Detail]

demethylwedelolactone(6468-55-9)1HNMR
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