Xanthone - 10mM in DMSO , CAS No.90-47-1

CAS: 90-47-1 Cat. No.: X426849 Formule: C₁₃H₈O₂ Poids moléculaire: 196.2 Beilstein Registry Number: 140443 Numéro CE: 201-997-7 PubChem CID: 7020

GRADE & PURITY 10mM in DMSO

Synonyms

F15407 | AI3-00077 | EN300-20176 | SMR000112239 | NCGC00095484-03 | 9H-Xanthen-9-one | NSC-14978 | Xanthene, 9-oxo- | Q421789 | BDBM50155411 | A843557 | NSC 14978 | Xanthen-9-one | Dibenzo-gamma-pyrone | MLS002207109 | NCGC00095484-01 | SPECTRUM200523 | S

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

application：

Xanthone is used predominantly as oxygenated polycyclic aromatic compounds, and as a vasorelaxant. It can be used as a fluorescent agent, as well as an intermediate in organic synthesis and chemical research.

Specifications

Synonymes

F15407 | AI3-00077 | EN300-20176 | SMR000112239 | NCGC00095484-03 | 9H-Xanthen-9-one | NSC-14978 | Xanthene, 9-oxo- | Q421789 | BDBM50155411 | A843557 | NSC 14978 | Xanthen-9-one | Dibenzo-gamma-pyrone | MLS002207109 | NCGC00095484-01 | SPECTRUM200523 | S

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Type d'action

INHIBITOR

Noms et identifiants

• Pubchem Sid: 528770325
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528770325
• Sourires canoniques: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
• IUPAC Name: xanthen-9-one
• InChIKey: JNELGWHKGNBSMD-UHFFFAOYSA-N
• INCHI: 1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
• Isomères SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
• WGK Allemagne: 3
• RTECS: ZD5711000
• PubChem CID: 7020
• Numéro ONU: 2811
• Poids moléculaire: 196.2
• Beilstein: 140443
• Reaxy-Rn: 140443

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes
            • Level7 Xanthones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans - Xanthenes
• Direct Parent: Xanthones
• Alternative Parents: Chromones Pyranones and derivatives Benzenoids Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthone - Chromone - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
• External Descriptors: xanthones

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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Mécanismes d'action

Propriétés chimiques et physiques

• Point d'ébullition (°C): 349-350°C
• Point de fusion (°C): 172-180℃
• Poids moléculaire: 196.200 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.052 Da
• Monoisotopic Mass: 196.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 237.000
• 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

Références

1. Nian Wang, Die Zhou, Huaying Liu, Yina Tu, Yanqiong Ma, Yingjie Li.  (2023)  Triplet-Excited Dissolved Organic Matter Efficiently Promoted Atmospheric Sulfate Production: Kinetics and Mechanisms.  Separations,  10  (6): (335).  [PMID:] [10.3390/separations10060335]

2. Huan He, Dan Xiong, Fengxia Han, Zhiang Xu, Bin Huang, Xuejun Pan.  (2018)  Dissolved oxygen inhibits the promotion of chlorothalonil photodegradation mediated by humic acid.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2018.04.050]

3. Mingye Zhao, Jie Chen, Heyong Wang, Yuqing Wang, Guixiang Huang, Ning Zhu, Yuguang Li, Zheng Fang, Yujing Hu, Kai Guo.  (2024)  A Photo-Enzymatic Cascade to Access Dihydrocoumarins from Incompatibility to Compatibility.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2024.113852]