Xanthyletin - ≥95% , CAS No.553-19-5

CAS: 553-19-5 Cat. No.: X329524 Formule: C₁₄H₁₂O₃ Poids moléculaire: 228.3 PubChem CID: 65188

QUALITÉ & PURETÉ ≥95%

Synonyms

8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one|Xanthyletin|8,8-Dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one|XANTHYLETIN [MI]|2,2-dimethylpyrano[3,2-g]chromen-8-one|8,8-Dimethyl-2H,8H-benzo(1,2-b:5,4-b')dipyran-2-one|2,2-DIMETHYLCHROMENOCOUMARIN|8,8-Dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one #|Xanthyletine|2H,8H-Benzo[1,2-b:5,4-b']dipyran-2-one, 8,8-dimethyl-|8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one|SDCCGMLS-0066430.P001|7-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-ACRYLIC ACID .DELTA.-LACTONE

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one | Xanthyletin | 8,8-Dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one | XANTHYLETIN [MI] | 2,2-dimethylpyrano[3,2-g]chromen-8-one | 8,8-Dimethyl-2H,8H-benzo(1,2-b:5,4-b')dipyran-2-one | 2,2-DIMETHYLCHROMENOCOUMARIN | 8,8-Dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one # | Xanthyletine | 2H,8H-Benzo[1,2-b:5,4-b Afficher plus

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Protected from light,Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528774688

Sourires canoniques

CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C

IUPAC Name

2,2-dimethylpyrano[3,2-g]chromen-8-one

InChIKey

QOTBQNVNUBKJMS-UHFFFAOYSA-N

INCHI

1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3

Isomères SMILES

CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C

PubChem CID

65188

Poids moléculaire

228.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Coumarins and derivatives
      • Subclass Pyranocoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Coumarins and derivatives
• Subclass: Pyranocoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: Linear pyranocoumarins
• Alternative Parents: Pyranochromenes 2,2-dimethyl-1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Linear pyranocoumarin - Pyranochromene - 2,2-dimethyl-1-benzopyran - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as linear pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) linearly fused to a coumarin moiety.
• External Descriptors: coumarins

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

Cibles associées (humaines)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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POLB Tchem DNA polymerase beta (23632 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

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GAPDH Tchem Glyceraldehyde-3-phosphate dehydrogenase liver (1284 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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BACE1 Tchem Beta-secretase 1 (15641 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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BXPC-3 (2997 Activities)

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DU-145 (51482 Activities)

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MCF7 (126967 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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KM-20L2 (14967 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 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)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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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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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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Cibles associées (non humaines)

Ca7 Carbonic anhydrase VII (3 Activities)

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Ca13 Carbonic anhydrase XIII (322 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Enterobacter cloacae (7976 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Proteus mirabilis (3894 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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P388 (20296 Activities)

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Vero (26788 Activities)

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Dyrk1a Dual specificity tyrosine-phosphorylation-regulated kinase 1A (1629 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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PYK Pyruvate kinase (6726 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)

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fba Fructose-bisphosphate aldolase (8 Activities)

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FTL Ferritin light chain (43324 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive；light sensitive
• Poids moléculaire: 228.240 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 228.079 Da
• Monoisotopic Mass: 228.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 394.000
• 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