3D Mol Similar

Isorhamnetin

: Iupac Name：3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one; CAS No.: 480-19-3; Molecular Weight：316.265; Modify Date.: 2022-11-07 06:35; Introduction: Isorhamnetin is a flavonoid, which occurs naturally in plants and it is also a metabolite of quercetin.Isorhamnetin has anti-inflammatory effect as it can reduce the formation of large amounts of nitric oxide by the inhibition the activation of nuclear factor-κB (NF-κB), which is a significant transcription factor for inducible nitric oxide synthase. Isorhamnetin is also reported to have effect in inducing the expression of neurofilaments, and it potentiated the NGF-induced neurite outgrowth and neurofilament expression, which could be a new direction in searching potential candidates as new drugs or food supplements for neurodegenerative diseases. View more+

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1. Names and Identifiers

: 1.1 Name; Isorhamnetin; 1.2 Synonyms; 3,4′,5,7-Tetrahydroxy-3′-methoxyflavone 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one 3,5,7-Trihydroxy-2-(4-hydroxy-3-metoxyphenyl)benzopyran-4-one 3′-Methoxyquercetin 3′-Methylquercetin 3′-O-Methylquercetin 3'-METHOXY-3,4',5,7-TETRAHYDROXYFLAVONE 3-Methoxy-3,4,5,7-tetrahydroxyflavone 3'-Methoxy-3,4',5,7-tetrahydroxyflavone3,5,7-Trihydroxy-2-(4-hydroxy-3-metoxyphenyl)benzopyran-4-on3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one 3'-METHOXY-3,5,7,4'-TETRAHYDROXYFLAVONE 3-Methoxyquercetin 3-Methylquercetin 3-Methylquercetine 4H-1-Benzopyran-4-one, 2-(3-methoxy-4-hydroxyphenyl)-3,5,7-trihydroxy- 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)- 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)- (9CI) 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2- (4-hydroxy-3-methoxyphenyl)- C.I. 75680 Flavone, 3,4′,5,7-tetrahydroxy-3′-methoxy- Flavone, 3-methoxy-3,4,5,7-tetrahydroxy- Flavonoid IsorhaMnetin, froM Hippophae fhaMnoides L. Isorhamnetol Quercetin 3′-methyl ether sorhamnetin 3,5,7-Trihydroxy-2-(4-hydroxy-3-metoxyphenyl)benzopyran-4-on; View all

1.3 CAS No.: 480-19-3

1.4 CID: 5281654

1.5 EINECS(EC#): 207-545-5

1.6 Molecular Formula: C16H12O7 (isomer)

1.7 Inchi: InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3

1.8 InChIkey: IZQSVPBOUDKVDZ-UHFFFAOYSA-N

1.9 Canonical Smiles: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O

1.10 Isomers Smiles: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O

2. Properties

2.1 Density: 1.634

2.1 Melting point: 307℃

2.1 Boiling point: 599.4°Cat760mmHg

2.1 Refractive index: 1.74

2.1 Flash Point: 227.8°C

2.1 Precise Quality: 316.05800

2.1 PSA: 120.36000

2.1 logP: 2.29100

2.1 Λmax: 370(MeOH)nm

2.2 Appearance: powder

2.3 Chemical Properties: Beige to lighet yellow powder

2.4 Color/Form: Yellow powder

2.5 Physical: Solid

2.6 pKa: 6.31±0.40(Predicted)

3. Use and Manufacturing

3.1 Definition: ChEBI: A monomethoxyflavone that is quercetin in which the hydroxy group at position 3' is replaced by a methoxy group. IsorhamnetinSupplier

3.2 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.

Reported as not meeting GHS hazard criteria by 1 of 2 companies. For more detailed information, please visit ECHA C&L website

Of the 1 notification(s) provided by 1 of 2 companies with hazard statement code(s):

H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P201, P202, P281, P308+P313, P405, and P501; View all

3.3 Usage: A metabolite of the flavanoid Quercetin (Q509500) with antioxidant properties. It helps to protect H9c2 cardiomyoblasts against H2O2-induced oxidative stress via the modulation of PI3K/Akt and ERK1/2 signaling pathways.

4. Safety and Handling

4.1 Hazard Codes: Xi

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S22

4.1 WGK Germany: 3

4.1 RTECS: LK9275450

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H351 Suspected of causing cancer
Precautionary statement(s)
Prevention	P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P308+P313 IF exposed or concerned: Get medical advice/ attention.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

7. Synthesis Route

480-19-3Total: 26 Synthesis Route

108-73-6 210 Suppliers

480-19-3 137 Suppliers

Literatures:
Heap; Robinson Journal of the Chemical Society, 1926 , p. 2339
Yield: null

117-39-5 360 Suppliers

480-19-3 137 Suppliers

Literatures:
Kim, Bong-Gyu; Lee, Youngshim; Hur, Hor-Gil; Lim, Yoongho; Ahn, Joong-Hoon Phytochemistry, 2006 , vol. 67, # 4 p. 387 - 394
Yield: null

604-80-8 53 Suppliers

480-19-3 137 Suppliers

Literatures:
Kurkin; Sharova Chemistry of Natural Compounds, 2007 , vol. 43, # 2 p. 216 - 217
Yield: null

View all

8. Precursor and Product

precursor:

5041-82-7

107603-09-8

78386-02-4

5533-00-6

1346137-81-2

604-80-8

65982-77-6

153-18-4

36804-11-2

6758-51-6

117-39-5

1334307-41-3

128331-43-1

103839-19-6

56681-66-4

1334307-40-2

6743-96-0

108-73-6

6743-92-6

View all

product :

117-39-5

9. Computational chemical data

Molecular Weight: 316.265g/mol
Molecular Formula: C₁₆H₁₂O₇
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 316.05830272
Monoisotopic Mass: 316.05830272
Complexity: 503
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 4
Hydrogen Bond Acceptor Count: 7
Topological Polar Surface Area: 116
Heavy Atom Count: 23
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAIyBoAABgCIAqBSAAICCAAkIAAIiAFGiMgNJzaGNRqCeWOl4BULuQfI7LzOIAABCAAIQABAAAIQABCAAAAAAAAAAA==

10. Question & Answer

What is Isorhamnetin and How Does it Benefit Your Health? Nov 30 2020
Isorhamnetin is a flavonol and phytonutrient that has been found to have anticancer and antidiabetic properties. This article will explore its food sources, benefits, recommended intake, and potential..

11. Recommended Suppliers

Global134SuppliersView all >>

Dayang Chem (Hangzhou) Co., Ltd. Diamond member

12YRS

Products:Chemical products
Tel:86-571-88938639
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Isorhamnetin

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2023/09/20

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Shandong Laiyi Chemical Co.,Ltd Diamond member

1YR

Products:We mainly export sles, labsa, glycerin, propylene glycol, castic soda, all kinds of plastic particles, fertilizer and other chemical products
Tel:00-86-15030815998
Email:lucky@anrunchem.com

Isorhamnetin

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/gram
Time: 2023/09/20

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Chengdu Gelipu Botechnology co.,ltd Audited Suppliers

Products:Specialize in fine chemicals,mainly manufacture pure botanical monomers ; Traditional Chinese Medicine references standards;Chemical reagents
Tel:86-28-82610909

Isorhamnetin

Purity:99%Packing: 200kg/bag FOB
Price: 42 USD/20mg
Time: 2021/04/26

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Chengdu Herbpurify CO.,LTD Audited Suppliers

Products:phytochemicals; natural plant active ingredient monomer;reference standards of TCM(Traditional Chinese Medicine)
Tel:86-28-85249238

Isorhamnetin

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/gram
Time: 2020/11/02

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Shanxi HuaTai Bio-fine chemical Co. Ltd. Audited Suppliers

Products:Glabridin,Oat Beta Glucan,Osthole,Isorhamnetin,Dipotassium Glycyrrhetate,Totarol,Matrine,Phloretin,Neohesperidin Dihydrochalcone,Portulaca Oleracea ,Polyphenol bitter glycoside,Coenzyme Q10
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Portulaca oleracea extract

Purity:99%Packing: 200kg/bag FOB
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12. Realated Product Infomation

604-80-8 ISORHAMNETIN-3-RUTINOSIDE

5041-82-7 ISORHAMNETIN-3-GLUCOSIDE

36687-76-0 Isorhamnetin 3-glucuronide

55033-90-4 ISORHAMNETIN 3-O-NEOHESPEROSIDE

6758-51-6 Isorhamnetin 3,7-O-diglucoside

41328-75-0 IsorhaMnetin 3-sophoroside-7-rhaMnoside

17331-72-5 Isorhamnetin 7-O-α-L-rhamnoside

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