CAS No.118525-40-9,Icaritin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	118525-40-9
Name:	Icaritin
Article Data:	24

Formula:	C₂₁H₂₀O₆
Molecular Weight:	368.386
Synonyms:	4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)- (9CI);
Density:	1.36 g/cm³
Melting Point:	239 °C
Boiling Point:	581.992 °C at 760 mmHg
Flash Point:	206.679 °C
PSA:	100.13000
LogP:	4.09410

Synthetic route

: 489-32-7
icariin

: 118525-40-9
icaritin

Conditions

Conditions	Yield
With water; sodium acetate; cellulase In ethanol; water; dimethyl sulfoxide at 37℃; pH=5.0;	100%
With cellulase
Multi-step reaction with 2 steps 1: β-glucanase; sodium acetate / aq. buffer / 5 h / 50 °C / Enzymatic reaction 2: sulfuric acid / ethanol; water / 5 h / 50 °C View Scheme

: 5-hydroxy-3,7-bis(methoxymethoxy)-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4H-chromen-4-one

: 118525-40-9
icaritin

Conditions

Conditions	Yield
With hydrogenchloride In methanol for 2h; Reflux; Inert atmosphere;	96%

: 5,7-dimethoxymethyl icaritin

: 118525-40-9
icaritin

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water at 65℃; for 1h; Inert atmosphere;	95%

: C28H24O7

: 118525-40-9
icaritin

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 60℃;	87%
With sodium hydroxide In ethanol; water at 60℃;	87%

: 7-(benzyloxy)-3,5-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one

: 118525-40-9
icaritin

Conditions

Conditions	Yield
With cyclohexa-1,4-diene; palladium 10% on activated carbon In methanol at 20℃; for 2h;	86%
With cyclohexa-1,4-diene; palladium 10% on activated carbon In methanol at 20℃; for 2h;	84%

: 113558-15-9
icariside II

: 118525-40-9
icaritin

Conditions

Conditions	Yield
With sulfuric acid In ethanol; water at 50℃; for 5h;	82%
With sulfuric acid In ethanol; water at 50℃; for 5h;	82%
With sulfuric acid In ethanol; water at 50℃; for 5h;	82%

: C25H28O8

: 118525-40-9
icaritin

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane; isopropyl alcohol for 6.16667h; Solvent; Reagent/catalyst; Inert atmosphere; Reflux;	70.6%

: 56725-99-6
3-hydroxy-7-O-β-glucose-8-prenyl-4'-methoxychrysin

: 118525-40-9
icaritin

Conditions

Conditions	Yield
With cellulase In dimethyl sulfoxide at 37℃; pH=5.7;	68%

: 118525-35-2
sagittatoside A

A: 2280-44-6
D-Glucose

B: 6014-42-2
L-rhamnose

C: 118525-40-9
icaritin

Conditions

Conditions	Yield
With sulfuric acid In methanol

...Expand

icariside-II: icariside-II

: 118525-40-9
icaritin

Conditions

Conditions	Yield
With sulfuric acid
With potassium hydroxide

Total:105 Page 1 of 3 1 2 3 Next>>

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Specification

The 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-, with the CAS registry number 118525-40-9, is also known as 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one. It belongs to the product categories of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. This chemical's molecular formula is C₂₁H₂₀O₆ and molecular weight is 368.38. What's more, both its IUPAC name and systematic name are the same which is called 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one. It is a metabolite of Icariin. Icaritin and Desmethylicaritin, two metabolites of Icariin, dramatically inhibit the growth of most malignant cells. They also have significant antiangiogenesis properties, inhibiting or eliminating entirely the development of new malignant cells.

Physical properties about 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)- are: (1)ACD/LogP: 5.244; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.20; (4)ACD/LogD (pH 7.4): 4.19; (5)ACD/BCF (pH 5.5): 5129.69; (6)ACD/BCF (pH 7.4): 500.96; (7)ACD/KOC (pH 5.5): 15286.30; (8)ACD/KOC (pH 7.4): 1492.84; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 96.22 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 99.583 cm³; (15)Molar Volume: 270.868 cm³; (16)Polarizability: 39.478×10^-24cm³; (17)Surface Tension: 62.147 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 206.679 °C; (20)Enthalpy of Vaporization: 90.242 kJ/mol; (21)Boiling Point: 581.992 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c3c(O/C(=C1/O)c2ccc(OC)cc2)c(c(O)cc3O)C\C=C(/C)C
(2) InChI: InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
(3) InChIKey: TUUXBSASAQJECY-UHFFFAOYSA-N