ChemicalBook--->CAS DataBase List--->131-12-4

131-12-4

131-12-4 Structure

131-12-4 Structure
IdentificationBack Directory
[Name]

pimpinellin
[CAS]

131-12-4
[Synonyms]

Pimpinecilin
5,6-dimethoxyfuro[2,3-h]chromen-2-one
5,6-DiMethoxy-2H-furo[2,3-h]chroMen-2-one
5,6-Dimethoxy-2H-furo[2,3-h]-1-benzopyran-2-one
2H-Furo[2,3-h]-1-benzopyran-2-one, 5,6-dimethoxy-
[Molecular Formula]

C13H10O5
[MDL Number]

MFCD00597237
[MOL File]

131-12-4.mol
[Molecular Weight]

246.22
Chemical PropertiesBack Directory
[Melting point ]

119°
[Boiling point ]

441.0±45.0 °C(Predicted)
[density ]

1.352±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

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

powder
[color ]

Yellow
[InChI]

InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3
[InChIKey]

BQPRWZCEKZLBHL-UHFFFAOYSA-N
[SMILES]

C1(=O)OC2C3C=COC=3C(OC)=C(OC)C=2C=C1
[LogP]

1.477 (est)
Safety DataBack Directory
[Hazardous Substances Data]

131-12-4(Hazardous Substances Data)
Hazard InformationBack Directory
[Chemical Properties]

Light yellow needle-shaped crystals, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from Radix Angelicae Pubescentis.
[Uses]

GABA receptor antagonist, phototoxin
[Definition]

ChEBI: Pimpinellin is a furanocoumarin.
[Biological Activity]

Pimpinellin is a coumarin isolated from roots of Angelica dahurica and Zosima absinthifolia th at exhibits anti-tumoranti-allergicantioxidant and anticholinesterase activities. It appears to reduce the release of histaminesecretion of TBF-αinterleukin (IL)-1β and IL-4. Pimpinellin exhibits potent cytotoxic activities against MGC-803PC3and A375 cancer cell lines.
[storage]

-20°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

pimpinellin(131-12-4)MS
pimpinellin(131-12-4)1HNMR
pimpinellin(131-12-4)IR1
pimpinellin(131-12-4)IR2
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