Xanthotoxol - analytical standard, ≥98% , CAS No.2009-24-7

CAS: 2009-24-7 Cat. No.: X115704 Formule: C₁₁H₆O₄ Poids moléculaire: 202.16 Numéro CE: 217-923-1 PubChem CID: 65090

GRADE & PURITY Analytical standard, ≥98%

Synonyms

9-Hydroxy-7H-furo(3,2-g)(1)benzopyran-7-one | BRN 0189491 | 8-Hydroxypsoralen | 8-hydroxy-psoralen | 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy- | 9-hydroxy-2H-furo[3,2-g]chromen-2-one | 8-Hydroxypsoralene | 9-Hydroxy-7H-furo[3,2-g]chromen-7-one # | W-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

product description：

Xanthotoxol (8-Hydroxypsoralen) is a biologically active linear furocoumarin, shows strong pharmacological activities as anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective effects.

Specifications

Synonymes

9-Hydroxy-7H-furo(3,2-g)(1)benzopyran-7-one | BRN 0189491 | 8-Hydroxypsoralen | 8-hydroxy-psoralen | 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy- | 9-hydroxy-2H-furo[3,2-g]chromen-2-one | 8-Hydroxypsoralene | 9-Hydroxy-7H-furo[3,2-g]chromen-7-one # | W-2

Spécifications et pureté

analytical standard, ≥98%

Conditions de stockage de stockage

Store at -20°C

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.

Grade

Analytical standard

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528768516
• Sourires canoniques: C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O
• IUPAC Name: 9-hydroxyfuro[3,2-g]chromen-7-one
• InChIKey: JWVYQQGERKEAHW-UHFFFAOYSA-N
• INCHI: 1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H
• Isomères SMILES: C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O
• PubChem CID: 65090
• Poids moléculaire: 202.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Coumarins and derivatives
      • Subclass Furanocoumarins
        • Level5 Linear furanocoumarins
          • Level6 Psoralens
            • Level7 8-hydroxypsoralens

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Coumarins and derivatives
• Subclass: Furanocoumarins
• Intermediate Tree Nodes: Linear furanocoumarins - Psoralens
• Direct Parent: 8-hydroxypsoralens
• Alternative Parents: 1-benzopyrans Benzofurans Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 8-hydroxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 8-hydroxypsoralens. These are psoralens containing a hydroxyl group attached at the C8 position of the psoralen group.
• External Descriptors: an 8-hydroxyfurocoumarin

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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BACE1 Tchem Beta-secretase 1 (15641 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 202.160 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 202.027 Da
• Monoisotopic Mass: 202.027 Da
• Topological Polar Surface Area: 59.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 312.000
• 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