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479-91-4

479-91-4 Structure

479-91-4 Structure
IdentificationMore
[Name]

CASTICIN
[CAS]

479-91-4
[Synonyms]

3',5-DIHYDROXY-3,4',6,7-TETRAMETHOXY FLAVONE
5,3'-DIHYDROXY-3,6,7,4'-TETRAMETHOXYFLAVONE
CASTICIN
VITEXICARPIM
VITEXICARPIN
Casticin (Vitexicarpin)
CASTICIN(P)
CASTICIN WITH HPLC
(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-
4H-1-Benzopyran-4-one,5-hydroxy-2-
3,4',6,7-Tetramethoxy-3',5-dihydroxyflavone
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
[Molecular Formula]

C19H18O8
[MDL Number]

MFCD00210481
[Molecular Weight]

374.34
[MOL File]

479-91-4.mol
Chemical PropertiesBack Directory
[Melting point ]

186-187 °C
[Boiling point ]

617.7±55.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

ethanol: soluble1mg/mL, clear, colorless to light yellow
[form ]

neat
[pka]

6.13±0.40(Predicted)
[color ]

Yellow
[BRN ]

1300392
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
[InChIKey]

PJQLSMYMOKWUJG-UHFFFAOYSA-N
[SMILES]

C1(C2=CC=C(OC)C(O)=C2)OC2=CC(OC)=C(OC)C(O)=C2C(=O)C=1OC
[CAS DataBase Reference]

479-91-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[HS Code ]

29329990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Soluble in a mixed solvent of DMSO, chloroform and methanol, insoluble in petroleum ether and chloroform. Derived from the Umbelliferae plant Foeniculum vulgare
[Uses]

Casticin is a biological compound known to induce human glioma cell death through an apoptotic mechanism and disruption of the mitotic cycle.
[Definition]

ChEBI: A tetramethoxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6, 7 and 4' have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii.
[in vivo]

Casticin (20 mg/kg, p.o.) has toxic effect on the liver in mice with CCl4-and BDL-induced hepatic injury. Casticin attenuates liver fibrosis induced by CCl4 or BDL in vivo. Casticin inhibits HSC activation and collagen matrix expression by blocking TGF-β/Smad signaling in vivo[2].

Spectrum DetailBack Directory
[Spectrum Detail]

CASTICIN(479-91-4)1HNMR
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