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

CAS: 2009-24-7 Cat. No.: X115704 Summenformel: C₁₁H₆O₄ Molekulargewicht: 202.16 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

analytical standard, ≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Analytischer Standard

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528768516
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O
• PubChem CID: 65090
• Molekulargewicht: 202.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Coumarins and derivatives
      • Subclass Furanocoumarins
        • Ebene5 Linear furanocoumarins
          • Ebene6 Psoralens
            • Ebene7 8-hydroxypsoralens

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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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SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

Discover Target: SMPD1

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BACE1 Tchem Beta-secretase 1 (15641 Activities)

Discover Target: BACE1

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HT-29 (80576 Activities)

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Helicobacter pylori (3113 Activities)

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Hepatitis B virus (7925 Activities)

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3T3-L1 (3664 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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