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

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

CALIDAD & 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

Descripción general

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

Especificaciones

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Propiedades del producto

ALogP

2.619

Recuento HBD

2

Enlace rotable

3

Nombres e identificadores

Pubchem Sid

504763596

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

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
    • Clase Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

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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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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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KIT Tclin Stem cell growth factor receptor (10667 Activities)

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CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

Discover Target: CNR2

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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)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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Objetivos asociados (no 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)

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Plasma (328 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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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)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 100 mg/mL (318.17 mM)
• DMSO (mg/ml) Solubilidad máxima: 100
• DMSO (mM) Solubilidad máxima: 318.177479398008
• Agua (mg/ml) Solubilidad 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

Preguntas frecuentes

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.