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| CAS No.: | 1617-53-4 |
|---|---|
| Name: | AMENTOFLAVONE |
| Molecular Structure: | |
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| Formula: | C30H18O10 |
| Molecular Weight: | 538.467 |
| Synonyms: | 3''',8-Biflavone,4',4''',5,5'',7,7''-hexahydroxy- (7CI,8CI);Ginkgetin, didemethyl- (6CI);Amenthoflavone;I3',II8-Biapigenin;NSC 295677;Tridemethylsciadopitysin; |
| Density: | 1.656 g/cm3 |
| Melting Point: | >300 °C |
| Boiling Point: | 910.5 °C at 760 mmHg |
| Flash Point: | 308.4 °C |
| Appearance: | Odourless Whitish Solid |
| Safety: | 22-24/25 |
| PSA: | 181.80000 |
| LogP: | 5.13400 |
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| 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 | 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 | Yield |
|---|---|
| With sulfuric acid; iodine In dimethyl sulfoxide Yields of byproduct given; | A n/a B 40 mg C n/a |
- 1617-53-4
amentoflavone
| Conditions | Yield |
|---|---|
| With hydrogen iodide; phenol at 140℃; |
- 1617-53-4
amentoflavone
| Conditions | Yield |
|---|---|
| With hydrogen iodide; phenol at 140℃; |
- 1617-53-4
amentoflavone
| Conditions | Yield |
|---|---|
| With hydrogen iodide; phenol at 140℃; |
| Conditions | Yield |
|---|---|
| With pyridine hydrochloride at 180℃; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol; water for 3h; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water In methanol for 2h; Reflux; |
| Conditions | Yield |
|---|---|
| With pyridine at 20 - 60℃; | 86% |
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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.
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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