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41440-05-5

41440-05-5 Structure

41440-05-5 Structure
IdentificationBack Directory
[Name]

5,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
[CAS]

41440-05-5
[Synonyms]

8-Hydroxyapigenin
5,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
5,7,8-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
4H-1-Benzopyran-4-one, 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-
[Molecular Formula]

C15H10O6
[MDL Number]

MFCD03427319
[MOL File]

41440-05-5.mol
[Molecular Weight]

286.24
Chemical PropertiesBack Directory
[Melting point ]

247-248 °C
[Boiling point ]

592.5±50.0 °C(Predicted)
[density ]

1.654±0.06 g/cm3(Predicted)
[form ]

Solid
[pka]

6.67±0.40(Predicted)
[color ]

Light yellow to yellow
[InChI]

InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)12-6-10(18)13-9(17)5-11(19)14(20)15(13)21-12/h1-6,16-17,19-20H
[InChIKey]

NXHQVROAKYDSNW-UHFFFAOYSA-N
[SMILES]

C1(C2=CC=C(O)C=C2)OC2=C(O)C(O)=CC(O)=C2C(=O)C=1
Hazard InformationBack Directory
[Chemical Properties]

Yellow crystalline powder, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from Hedyotis diffusa Willd; Scutellaria barbata.
[Uses]

Isoscutellarein is a flavonoid compound that can be isolated from Wissadula periplocifolia (L.) C. Presl (Malvaceae)[1]
[Definition]

ChEBI: A tetrahydroxyflavone that is apigenin with an extra hydroxy group at position 8.
[References]

[1] Teles YC, et al. New Sulphated Flavonoids from Wissadula periplocifolia (L.) C. Presl (Malvaceae). Molecules. 2015 Nov 9;20(11):20161-72. DOI:10.3390/molecules201119685
[2] Yang H, et al. New bioactive polyphenols from Theobroma grandiflorum ("cupua?u"). J Nat Prod. 2003;66(11):1501-1504. DOI:10.1021/np034002j
[3] Lawrence J.P, et al. Isoscutellarein and hypolaetin 8-glucuronides from the liverwort Marchantia berteroana.
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