Scutellarin supplier | CasNO.27740-01-8

Name
Scutellarin
EINECS 1806241-263-5
CAS No. 27740-01-8
Article Data6
CAS DataBase
Density 1.81 g/cm³
Solubility
Melting Point 300～301℃
Formula C₂₁H₁₈O₁₂
Boiling Point 891.6 °C at 760 mmHg
Molecular Weight 462.367
Flash Point 314.9 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glucopyranosiduronicacid, 5,6-dihydroxy-2-(p-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, b-D- (8CI);Scutellarin (6CI,7CI);Flavone, 4',5,6,7-tetrahydroxy-, 7-b-D-glucopyranuronoside (8CI);Scutellarein 7-O-b-D-glucuronide;Scutellarein 7-glucuronide;Scutellarein 7-b-D-glucuronide;Scutellarein 7-b-D-glucuronoside;Scutellarein-7-O-b-glucuronide;Scutellarin B;Scutellarin;7-(beta-D-Glucopyranuronosyloxy)-5,6-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;4H-1-benzopyran-4-one, 7-(β-D-glucopyranuronosyloxy)-5,6-dihydroxy-2-(4-hydroxyphenyl)-;
PSA 207.35000
LogP -0.15220

Synthetic route

: 119262-68-9
scutellarein 7-O-β-D-glucuronopyranoside methyl ester

: 27740-01-8
scutellarin

Conditions

Conditions	Yield
Stage #1: scutellarein 7-O-β-D-glucuronopyranoside methyl ester With water; sodium hydroxide In acetone at 0℃; for 0.2h; Inert atmosphere; Stage #2: With hydrogenchloride In water; acetone for 1h; pH=2-3; Reagent/catalyst; Temperature; Time; Concentration;	89%

: 529-53-3
scutellarein

: 2616-64-0
UDP-glucuronic acid

: 27740-01-8
scutellarin

Conditions

Conditions	Yield
With Tris-HCl buffer; UDP-glucuronate: baicalein 7-O-glucuronosyltransferase In water at 37℃; pH=7.5; Enzyme kinetics; Esterification; Enzymatic reaction;
With Veronica persica UDP-dependent glycosyl transferase 88D8 In potassium phosphate buffer at 30℃; pH=7.5;

Scutellarin Specification

The β-D-Glucopyranosiduronic acid,5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, with the CAS registry number 27740-01-8, is also known as Scutellarein-7-O-beta-D-glucuronide. It belongs to the product category of Miscellaneous Natural Products. This chemical's molecular formula is C₂₁H₁₈O₁₂ and molecular weight is 462.36. What's more, its systematic name is 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranosiduronic acid. It can improve the brain circulation, increase blood flow to the brain and reduce the cerebral vascular resistance.

Physical properties of β-D-Glucopyranosiduronic acid,5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl are: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.51; (4)ACD/LogD (pH 7.4): -5.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 126.44 Å²; (13)Index of Refraction: 1.763; (14)Molar Refractivity: 105.43 cm³; (15)Molar Volume: 255.3 cm³; (16)Polarizability: 41.79×10^-24cm³; (17)Surface Tension: 113.9 dyne/cm; (18)Density: 1.81 g/cm³; (19)Flash Point: 314.9 °C; (20)Enthalpy of Vaporization: 135.77 kJ/mol; (21)Boiling Point: 891.6 °C at 760 mmHg; (22)Vapour Pressure: 3.91E-34 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3\C=C(/Oc2cc(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c(O)c(O)c23)c4ccc(O)cc4
(2)Std. InChI: InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
(3)Std. InChIKey: DJSISFGPUUYILV-ZFORQUDYSA-N

Product Name

Scutellarin

Synthetic route

Scutellarin Specification

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