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

CAS: 90-47-1 Cat. No.: X426849 Peso molecular: 196.2 Beilstein Registry Number: 140443 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
• WGK Alemania: 3
• RTECS: ZD5711000
• PubChem CID: 7020
• Número ONU: 2811
• Peso molecular: 196.2
• Beilstein: 140443
• Reaxy-Rn: 140443

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

PGAM1 Tchem Phosphoglycerate mutase 1 (1 Activities)

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MAOA Tclin Amine oxidase [flavin-containing] A (1 Activities)

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TYR Tclin Tyrosinase (717 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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GLA Tclin Alpha-galactosidase A (5444 Activities)

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GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CASP1 Tchem Caspase-1 (6235 Activities)

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CASP7 Tchem Caspase-7 (3146 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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DU-145 (51482 Activities)

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HeLa (62764 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 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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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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

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PGAM1 Tchem Phosphoglycerate mutase 1 (143 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Spodoptera frugiperda (784 Activities)

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3T3-L1 (3664 Activities)

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BHK-21 (725 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Alternaria alternata (757 Activities)

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Danio rerio (3092 Activities)

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Drechslera (102 Activities)

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Fusarium oxysporum f. sp. vasinfectum (242 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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FTL Ferritin light chain (43324 Activities)

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SARS-CoV-2 (38078 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 349-350°C
• Punto de fusión (°C): 172-180℃
• Peso molecular: 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

Referencias

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]