Pectolinarigenin - ≥98% , CAS No.520-12-7

CAS: 520-12-7 Cat. No.: P412870 Formula: C₁₇H₁₄O₆ Peso molecolare: 314.29 Numero EC: 208-286-0 PubChem CID: 5320438

QUALITÀ & PUREZZA ≥98%

Synonyms

4U3UZ1K35N | ACon1_001597 | C17784 | 1-.beta.-D-Ribofuranosyl-2,4(1H,3H)-pyrimidinedione | LMPK12111164 | ST077090 | 4,5-Dihydroxy-6-methoxy-2-(4-methoxy-phenyl)-chromen-7-one | 4H-1-Benzopyran-4-one,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)- | A14706 | C

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

Pectolinarigenin, an active anti-inflammatory ingredient inCirsium chanroenicum, is a dual inhibitor ofcyclooxygenase-2 (COX-2)and5-lipoxygenase (5-LOX).

Targets

COX-2 ; 5-LOX ; 5-LOX

Specifiche

Sinonimi

4U3UZ1K35N | ACon1_001597 | C17784 | 1-.beta.-D-Ribofuranosyl-2,4(1H,3H)-pyrimidinedione | LMPK12111164 | ST077090 | 4,5-Dihydroxy-6-methoxy-2-(4-methoxy-phenyl)-chromen-7-one | 4H-1-Benzopyran-4-one,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)- | A14706 | C

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Pectolinarigenin, an active anti-inflammatory ingredient in Cirsium chanroenicum, is a dual inhibitor of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX).

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

ALogP

2.619

Conteggio HBD

2

Legame rotabile

3

Nomi e identificatori

Pubchem Sid

504763596

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763596

Sorrisi canonici

COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O

IUPAC Name

5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)chromen-4-one

InChIKey

GPQLHGCIAUEJQK-UHFFFAOYSA-N

INCHI

1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3

Isomeri SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O

PubChem CID

5320438

Peso molecolare

314.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-O-methylated flavonoids
• Alternative Parents: 4'-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Chromones Methoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Heteroaromatic compounds Vinylogous acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4p-methoxyflavonoid-skeleton - 6-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Chromone - 1-benzopyran - Benzopyran - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyran - Vinylogous acid - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 6-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone.
• External Descriptors: Flavones and Flavonols

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

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STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)

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FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 100 mg/mL (318.17 mM)
• DMSO (mg/mL) Solubilità massima: 100
• DMSO (mM) Solubilità massima: 318.177479398008
• Acqua (mg/mL) Solubilità massima: -1
• Peso molecolare: 314.290 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 314.079 Da
• Monoisotopic Mass: 314.079 Da
• Topological Polar Surface Area: 85.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 468.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 520-12-7, the molecular formula is C17H14O6, and the molecular weight is 314.29 g/mol. InChIKey GPQLHGCIAUEJQK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.