Glabranin (flavonoid) supplier

Name
Glabranin
EINECS
CAS No. 41983-91-9
Density 1.244g/cm³
Solubility
Melting Point
Formula C₂₀H₂₀O₄
Boiling Point 545.9 °C at 760 mmHg
Molecular Weight 324.3704
Flash Point 197.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-2,3-Dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-2-phenyl-4H-1-benzopyran-4-one;(2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chroman-4-one;Glabranine;5,7-Dihydroxy-8-(3-methyl-but-2-enyl)-2-phenyl-1-benzopyran-4-one;4H-1-Benzopyran-4-one,2,3-dihydro-5,7- dihydroxy-8-(3-methyl-2-butenyl)-2- phenyl-,(2S)-;4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-2-phenyl-, (2S)-;Glabranin;4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-2-phenyl-, (S)-;
PSA 66.76000
LogP 4.31300

Glabranin (flavonoid) Specification

The Glabranin (flavonoid), with CAS registry number 41983-91-9, has the systematic name of (2S)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-4H-chromen-4-one. Besides this, it is also called Glabranin. Its molecular weight is 324.3704. And the chemical formula of this chemical is C₂₀H₂₀O₄.

Physical properties of Glabranin (flavonoid): (1)ACD/LogP: 6.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.02; (4)ACD/LogD (pH 7.4): 5.77; (5)ACD/BCF (pH 5.5): 21984.73; (6)ACD/BCF (pH 7.4): 12568.05; (7)ACD/KOC (pH 5.5): 44515.71; (8)ACD/KOC (pH 7.4): 25448.38; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 91.71 cm³; (15)Molar Volume: 260.6 cm³; (16)Polarizability: 36.36×10^-24cm³; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.244 g/cm³; (19)Flash Point: 197.1 °C; (20)Enthalpy of Vaporization: 85.57 kJ/mol; (21)Boiling Point: 545.9 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c3c(O[C@H](c1ccccc1)C2)c(c(O)cc3O)C\C=C(/C)C
(2)InChI: InChI=1/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1
(3)InChIKey: DAWSYIQAGQMLFS-SFHVURJKBS
(4)Std. InChI: InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1
(5)Std. InChIKey: DAWSYIQAGQMLFS-SFHVURJKSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	oral	> 1500mg/kg (1500mg/kg)		Dokl Akad Nauk resp. Uzb.Vol. (9-10), Pg. 55, 1995.

Product Name

Glabranin

Glabranin (flavonoid) Specification

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