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

CAS: 520-12-7 Cat. No.: P412870 Fórmula: C₁₇H₁₄O₆ Peso molecular: 314.29 Número CE: 208-286-0 PubChem CID: 5320438

GRAU & PUREZA ≥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

Visão geral

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

Especificações

Sinónimos

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

ALogP

2.619

Contagem HBD

2

Ligação rotativa

3

Nomes e identificadores

Pubchem Sid

504763596

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

PubChem CID

5320438

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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KIT Tclin Stem cell growth factor receptor (10667 Activities)

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CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

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POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

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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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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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A-375 (9258 Activities)

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ACHN (49357 Activities)

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Caco-2 (12174 Activities)

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COR-L23 (253 Activities)

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NCI-H1975 (4994 Activities)

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MRC5 (9203 Activities)

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Panel NCI-60 (60 carcinoma cell lines) (1088 Activities)

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SW48 (312 Activities)

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A549 (127892 Activities)

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HCT-116 (91556 Activities)

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HepG2 (196354 Activities)

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Jurkat (10389 Activities)

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KB (17409 Activities)

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PC-9 (1037 Activities)

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MV4-11 (7307 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

Discover Target: BRCA1

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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C32 (251 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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microRNA 21 (64692 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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NFKB2 Tchem Nuclear factor NF-kappa-B complex (2307 Activities)

Discover Target: NFKB2

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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CCRF S-180 (1031 Activities)

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L1210 (27553 Activities)

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P388 (20296 Activities)

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RAW264.7 (28094 Activities)

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L6 (7924 Activities)

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CT26 (928 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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PYK Pyruvate kinase (6726 Activities)

Discover Target: PYK

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Plasma (328 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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TUBB2B Tubulin (2175 Activities)

Discover Target: TUBB2B

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 100 mg/mL (318.17 mM)
• DMSO (mg/mL) Solubilidade máxima: 100
• DMSO (mM) Solubilidade máxima: 318.177479398008
• Água (mg/mL) Solubilidade máxima: -1
• Peso molecular: 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

Perguntas frequentes

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.