2-Hydroxyanthraquinone - ≥95% , CAS No.605-32-3

CAS: 605-32-3 Cat. No.: H124343 分子式: C₁₄H₈O₃ 分子量: 224.22 EC番号: 210-085-8

GRADE & PURITY ≥95%

Synonyms

Anthraquinone, 2-hydroxy- | 2-HYDROXYANTHRAQUINONE | 2-hydroxy-anthraquinone | CCRIS 9186 | NSC2595 | NSC-2595 | 9,10-Anthracenedione, 2-hydroxy- | beta-Hydroxyanthraquinone | CAS-605-32-3 | InChI=1/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Anthraquinone, 2-hydroxy- | 2-HYDROXYANTHRAQUINONE | 2-hydroxy-anthraquinone | CCRIS 9186 | NSC2595 | NSC-2595 | 9,10-Anthracenedione, 2-hydroxy- | beta-Hydroxyanthraquinone | CAS-605-32-3 | InChI=1/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

• パブケム・シド: 504752198
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752198
• カノニカル・スマイル: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)O
• IUPAC Name: 2-hydroxyanthracene-9,10-dione
• InChIKey: GCDBEYOJCZLKMC-UHFFFAOYSA-N
• INCHI: 1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H
• 異性体SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)O
• RTECS: CB7250000
• 分子量: 224.22
• Reaxy-Rn: 1877960
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1877960&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyanthraquinones
• Alternative Parents: Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hydroxyanthraquinone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as hydroxyanthraquinones. These are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group.
• External Descriptors: hydroxyanthraquinone

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

関連ターゲット（人間）

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DU-145 (51482 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MCF7 (126967 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility in N,N-DMF almost transparency
• 分子量: 224.210 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 224.047 Da
• Monoisotopic Mass: 224.047 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 349.000
• 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

参考文献

1. Man Chen, Quanhua Cai, Xiangyu Chen, Shaofu Huang, Qinyuan Feng, Tetsuro Majima, Raymond Jianxiong Zeng, Shungui Zhou.  (2022)  Anthraquinone-2-Sulfonate as a Microbial Photosensitizer and Capacitor Drives Solar-to-N2O Production with a Quantum Efficiency of Almost Unity.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:35312317] [10.1021/acs.est.1c08710]

2. Feng Pan, Yilin Zhang, Zhiqin Yuan, Chao Lu.  (2018)  Sensitive and Selective Carmine Acid Detection Based on Chemiluminescence Quenching of Layer Doubled Hydroxide–Luminol–H2O2 System.  ACS Omega,      [PMID:31458446] [10.1021/acsomega.8b02342]