Aceanthrenequinone - ≥96% , CAS No.6373-11-1

CAS: 6373-11-1 Cat. No.: A468178 분자식: C₁₆H₈O₂ 분자량: 232.23

GRADE & PURITY ≥96%

Synonyms

1,2-Dione-Based Compound, 16 | 1,2-Aceanthrenedione | DTXSID90311753 | F84VGY5ACR | SCHEMBL579274 | Aceanthrenchinon | NSC245130 | NSC-245130 | Aceanthrenequinone, 96% | YAIBDWAANBTYIA-UHFFFAOYSA-N | BDBM22859 | aceanthrylene-1,2-dione | tert-Butyl?4-(tri

Storage

Room temperature

개요

Aceanthrenequinone is a cyclic α-diketone. It reacts with hexaethyltriaminophosphine in the presence of fullerene C(60), to yield methanofullerene derivatives. Hydroxyalkylation reactions of aceanthrenequinone with a series of arenes was reported.Aceanthrenequinone was used in synthesis of spiro-tricyclic porphodimethenes.

Specifications

동의어

1,2-Dione-Based Compound, 16 | 1,2-Aceanthrenedione | DTXSID90311753 | F84VGY5ACR | SCHEMBL579274 | Aceanthrenchinon | NSC245130 | NSC-245130 | Aceanthrenequinone, 96% | YAIBDWAANBTYIA-UHFFFAOYSA-N | BDBM22859 | aceanthrylene-1,2-dione | tert-Butyl?4-(tri

사양 및 순도

≥96%

보관 조건

Room temperature

순수함

≥96%

이름과 식별자

• Pubchem Sid: 504758450
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758450
• 정식 스마일: C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)C4=O
• IUPAC Name: aceanthrylene-1,2-dione
• InChIKey: YAIBDWAANBTYIA-UHFFFAOYSA-N
• INCHI: 1S/C16H8O2/c17-15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(13(10)12)16(15)18/h1-8H
• 이성체 SMILES: C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)C4=O
• 분자량: 232.23
• Reaxy-Rn: 2106669
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2106669&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• External Descriptors: Not available

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

관련 대상(인간)

CES1 Tchem Liver carboxylesterase 1 (1 Activities)

Discover Target: CES1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

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

작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): Not applicable
• 발화점(°C): Not applicable
• 녹는점(°C): 270-273℃ (lit.)
• 분자량: 232.230 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 232.052 Da
• Monoisotopic Mass: 232.052 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 400.000
• 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