Amentoflavone supplier | CasNO.1617-53-4

Name
AMENTOFLAVONE
EINECS
CAS No. 1617-53-4
Article Data9
CAS DataBase
Density 1.656 g/cm³
Solubility
Melting Point >300 °C
Formula C₃₀H₁₈O₁₀
Boiling Point 910.5 °C at 760 mmHg
Molecular Weight 538.467
Flash Point 308.4 °C
Transport Information
Appearance Odourless Whitish Solid
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3''',8-Biflavone,4',4''',5,5'',7,7''-hexahydroxy- (7CI,8CI);Ginkgetin, didemethyl- (6CI);Amenthoflavone;I3',II8-Biapigenin;NSC 295677;Tridemethylsciadopitysin;
PSA 181.80000
LogP 5.13400

Synthetic route

: 548-19-6
isoginkgetin

amentoflavone: 1617-53-4
amentoflavone

Conditions

Conditions	Yield
With pyridine hydrochloride at 180℃;

: 48236-96-0
5,7,4',5'',7'',4'''-hexahydroxy-2,3,2'',3''-tetrahydroamentoflavone

: 1617-53-4
amentoflavone

Conditions

Conditions	Yield
With sulfuric acid; iodine In dimethyl sulfoxide at 100℃; for 1h;

: 48236-96-0
5,7,4',5'',7'',4'''-hexahydroxy-2,3,2'',3''-tetrahydroamentoflavone

A: 34340-51-7
2,3-dihydroamentoflavone

B: 1617-53-4
amentoflavone

C: 106577-42-8
2’’,3’’-dihydroamentoflavone

Conditions

Conditions	Yield
With sulfuric acid; iodine In dimethyl sulfoxide Yields of byproduct given;	A n/a B 40 mg C n/a

...Expand

ginkgetin: ginkgetin

: 1617-53-4
amentoflavone

Conditions

Conditions	Yield
With hydrogen iodide; phenol at 140℃;

kayaflavone: kayaflavone

: 1617-53-4
amentoflavone

Conditions

Conditions	Yield
With hydrogen iodide; phenol at 140℃;

sciadopitysin: sciadopitysin

: 1617-53-4
amentoflavone

Conditions

Conditions	Yield
With hydrogen iodide; phenol at 140℃;

: 548-19-6
isoginkgetin

: 1617-53-4
amentoflavone

Conditions

Conditions	Yield
With pyridine hydrochloride at 180℃;

: amentoflavone-7-O-β-D-glucoside

A: 50-99-7
D-glucose

B: 1617-53-4
amentoflavone

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water for 3h;

: amentoflavone 4’-O-α-L-rhamnopyranoside

A: 6014-42-2
L-rhamnose

B: 1617-53-4
amentoflavone

Conditions

Conditions	Yield
With hydrogenchloride; water In methanol for 2h; Reflux;

: 1617-53-4
amentoflavone

: 2528-61-2
Heptanoic acid chloride

: 2-(3-(5,7-bis(heptanoyloxy)-2-(4-(heptanoyloxy)phenyl)-4-oxo-4H-chromen-8-yl)-4-(heptanoyloxy)phenyl)-4-oxo-4H-chromene-5,7-diyl diheptanoate

Conditions

Conditions	Yield
With pyridine at 20 - 60℃;	86%

: 1617-53-4
amentoflavone

: 108-24-7
acetic anhydride

: 17482-37-0
amentoflavone hexaacetate

Conditions

Conditions	Yield
With pyridine Ambient temperature;	67%
With sodium acetate
In pyridine for 18h; Ambient temperature;

: 763-10-0
geranyl diphosphate

: 1617-53-4
amentoflavone

: C40H34O10

Conditions

Conditions	Yield
With wild type W181X mutant F253G; calcium chloride In aq. phosphate buffer; dimethyl sulfoxide; glycerol at 37℃; for 16h; pH=7.5; Kinetics; Enzymatic reaction;	50.6%

: 358-72-5
dimethylallyl diphosphate

: 1617-53-4
amentoflavone

A: C35H26O10

B: C35H26O10

Conditions

Conditions	Yield
With wild type 181R prenyltransferase CdpC3PT; calcium chloride In aq. phosphate buffer; dimethyl sulfoxide; glycerol at 37℃; for 16h; pH=7.5; Kinetics; Reagent/catalyst; Enzymatic reaction;	A 20.4% B n/a

...Expand

: 1617-53-4
amentoflavone

: 77-78-1
dimethyl sulfate

: 3778-26-5, 22783-10-4, 78511-92-9
Amentoflavon

: 1617-53-4
amentoflavone

: 74-88-4
methyl iodide

: 3778-26-5, 22783-10-4, 78511-92-9
Amentoflavon

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide
With potassium carbonate In N,N-dimethyl-formamide for 72h;

: 1617-53-4
amentoflavone

: 49620-13-5
robustaflavone

Conditions

Conditions	Yield
With hydrogen bromide Heating;

: 1617-53-4
amentoflavone

: 77-78-1
dimethyl sulfate

: 3778-25-4, 22783-08-0
7,4',7'',4'''-tetra-O-methylamentoflavone

Conditions

Conditions	Yield
With potassium carbonate In acetone

: nickel(II) nitrate hexahydrate

: 1617-53-4
amentoflavone

: 67-68-5
dimethyl sulfoxide

: C34H29NiO12S2(1+)*NO3(1-)

Conditions

Conditions	Yield
Stage #1: nickel(II) nitrate hexahydrate; amentoflavone In ethanol at 30℃; pH=6; Stage #2: dimethyl sulfoxide Solvent;

...Expand

: nickel (II) chloride hexahydrate

: 1617-53-4
amentoflavone

: 67-68-5
dimethyl sulfoxide

: C34H29NiO12S2(1+)*Cl(1-)

Conditions

Conditions	Yield
Stage #1: nickel (II) chloride hexahydrate; amentoflavone In ethanol at 30℃; pH=6; Stage #2: dimethyl sulfoxide Solvent;

...Expand

: cobalt(II) chloride hexahydrate

: 1617-53-4
amentoflavone

: 67-68-5
dimethyl sulfoxide

: C34H29CoO12S2(1+)*Cl(1-)

Conditions

Conditions	Yield
Stage #1: cobalt(II) chloride hexahydrate; amentoflavone With ammonium hydroxide In ethanol at 30℃; pH=6; Stage #2: dimethyl sulfoxide In ethanol; water Solvent; pH-value; Reagent/catalyst; Temperature;

...Expand

: cobalt(II) nitrate hexahydrate

: 1617-53-4
amentoflavone

: 67-68-5
dimethyl sulfoxide

: C34H29CoO12S2(1+)*NO3(1-)

Conditions

Conditions	Yield
Stage #1: cobalt(II) nitrate hexahydrate; amentoflavone With ammonium hydroxide In ethanol at 30℃; pH=6; Stage #2: dimethyl sulfoxide In ethanol; water pH-value; Reagent/catalyst; Solvent; Temperature;

...Expand

: copper(II) nitrate trihydrate

: 1617-53-4
amentoflavone

: 67-68-5
dimethyl sulfoxide

: C34H29CuO12S2(1+)*NO3(1-)

Conditions

Conditions	Yield
Stage #1: copper(II) nitrate trihydrate; amentoflavone With ammonium hydroxide In ethanol at 30℃; pH=6; Stage #2: dimethyl sulfoxide

...Expand

: copper(II) chlorate dihydrate

: 1617-53-4
amentoflavone

: 67-68-5
dimethyl sulfoxide

: C34H29CuO12S2(1+)*Cl(1-)

Conditions

Conditions	Yield
Stage #1: copper(II) chloride dihydrate; amentoflavone With ammonium hydroxide In ethanol at 30℃; pH=6; Stage #2: dimethyl sulfoxide

...Expand

: manganese(II) nitrate

: 1617-53-4
amentoflavone

: 67-68-5
dimethyl sulfoxide

: C36H35MnO13S3(1+)*NO3(1-)

Conditions

Conditions	Yield
Stage #1: manganese(II) nitrate; amentoflavone With ammonia In ethanol at 30℃; pH=6; Stage #2: dimethyl sulfoxide Solvent; Temperature; pH-value; Reagent/catalyst;

...Expand

: manganese(II) chloride tetrahydrate

: 1617-53-4
amentoflavone

: 67-68-5
dimethyl sulfoxide

: C36H35MnO13S3(1+)*Cl(1-)

Conditions

Conditions	Yield
Stage #1: manganese(II) chloride tetrahydrate; amentoflavone With ammonia In ethanol at 30℃; pH=6; Stage #2: dimethyl sulfoxide Reagent/catalyst; pH-value; Temperature; Solvent;

...Expand

: Iron(III) nitrate nonahydrate

: 1617-53-4
amentoflavone

: C64H44Fe2O22S2(2+)*2NO3(1-)

Conditions

Conditions	Yield
With ammonium hydroxide In ethanol at 30℃; pH=6; Reagent/catalyst; Solvent; pH-value; Temperature;

: iron (III) nitrate nonahydrate

: 1617-53-4
amentoflavone

: C64H44Fe2O22S2(2+)*2Cl(1-)

Conditions

Conditions	Yield
With ammonium hydroxide In ethanol at 30℃; pH=6; Reagent/catalyst; Solvent; pH-value; Temperature;

: 763-10-0
geranyl diphosphate

: 1617-53-4
amentoflavone

: C40H34O10

Conditions

Conditions	Yield
With aromatic prenyltransferase from Aspergillus terreus; calcium chloride In dimethyl sulfoxide at 37℃; for 16h; pH=7.5; Kinetics; Enzymatic reaction; regioselective reaction;

: copper(II) perchlorate hexahydrate

: 1617-53-4
amentoflavone

A: Cu2(AMF)

B: C30H17O10(1-)*Cu(2+)

Conditions

Conditions	Yield
With sodium hydroxide In water at 25℃; pH=3; pH-value;

...Expand

Amentoflavone Specification

The IUPAC name of Amentoflavone is 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one. With the CAS registry number 1617-53-4, it is also named as 4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-. The product's category is Flavones. Besides, it should be stored at 2-8 °C. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes. In addition, its molecular formula is C₃₀H₁₈O₁₀ and molecular weight is 538.46.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): -0.36; (5)ACD/BCF (pH 5.5): 51.92; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 491.65; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 107.98 Å²; (13)Index of Refraction: 1.793; (14)Molar Refractivity: 138.04 cm³; (15)Molar Volume: 324.9 cm³; (16)Polarizability: 54.72×10^-24cm³; (17)Surface Tension: 93.1 dyne/cm; (18)Density: 1.656 g/cm³; (19)Flash Point: 308.4 °C; (20)Melting Point: >300 °C; (21)Enthalpy of Vaporization: 136.9 kJ/mol; (22)Boiling Point: 910.5 °C at 760 mmHg; (23)Vapour Pressure: 2.79E-35 mmHg at 25 °C.

Uses of Amentoflavone: this chemical can interact with many other medications by being a potent inhibitor of CYP3A4 and CYP2C9, which are proteins used for drug metabolism in the body. Similarly, it can react with Acetic acid anhydride to get 2-(4-Acetoxy-3-(5,7-diacetoxy-2-(4-acetoxyphenyl)-4-oxo-4H-chromen-8-yl)phenyl)-4-oxo-4H-chromene-5,7-diyl diacetate.

This reaction needs Pyridine at ambient temperature. The yield is 67 %.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
(2)InChI: InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
(3)InChIKey: YUSWMAULDXZHPY-UHFFFAOYSA-N

Product Name

AMENTOFLAVONE

Synthetic route

Amentoflavone Specification

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