7,8-Dimethoxycoumarin - Moligand™, ≥98% , CAS No.2445-80-9

CAS: 2445-80-9 Cat. No.: D695895 분자식: C₁₁H₁₀O₄ 분자량: 206.19 PubChem CID: 142768

GRADE & PURITY Moligand™, ≥98%

Synonyms

7,8-Dimethoxy-2H-chromen-2-one | Daphnetin dimethyl ether | 7,8-dimethoxychromen-2-one

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

개요

7,8-Dimethoxycoumarin is a coumarin compound derived from Artemisia caruifolia . 7,8-Dimethoxycoumarin inhibits mitochondrial permeability transition pore and H+/K+-ATPase, and exhibits antioxidant, anti-inflammatory, renoprotective, neuroprotective and gastroprotective effects. 7,8-Dimethoxycoumarin reduces lipid peroxidation (TBARS), increases GSH levels, inhibits myeloperoxidase (MPO) activity, and regulates the expression of inflammatory factors by inhibiting the NF‑κB and MAPK pathways. 7,8-Dimethoxycoumarin ameliorates gastric mucosal injury, alleviates renal tissue lesions and relieves neuropathic pain. 7,8-Dimethoxycoumarin can be used in studies related to acute renal failure, trigeminal neuralgia and gastritis.

Specifications

동의어

7,8-Dimethoxy-2H-chromen-2-one | Daphnetin dimethyl ether | 7,8-dimethoxychromen-2-one

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at 2-8°C,Protected from light,Desiccated

배송

Wet ice

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등급

Moligand™

순수함

≥98%

이름과 식별자

• 정식 스마일: COC1=C(C2=C(C=C1)C=CC(=O)O2)OC
• IUPAC Name: 7,8-dimethoxychromen-2-one
• InChIKey: CHBBSMUTOCUVDW-UHFFFAOYSA-N
• INCHI: 1S/C11H10O4/c1-13-8-5-3-7-4-6-9(12)15-10(7)11(8)14-2/h3-6H,1-2H3
• 이성체 SMILES: COC1=C(C2=C(C=C1)C=CC(=O)O2)OC
• PubChem CID: 142768
• 분자량: 206.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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

화학 및 물리적 특성

• 분자량: 206.190 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.058 Da
• Monoisotopic Mass: 206.058 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 274.000
• 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