ジンジレノンA - ≥98% , CAS No.128700-97-0

CAS: 128700-97-0 Cat. No.: G355262 分子式: C₂₁H₂₄O₅ 分子量: 356.41

グレード＆純度 ≥98%

Synonyms

FWDXZNKYDTXGOT-GQCTYLIASA-N | (E)-Gingerenone A | DTXSID50873741 | HY-120912 | (4E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one | 4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E)- | C10460 | 4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)

Storage

2～8℃で保存

Shipped In

濡れた氷

概要

用途

ギンゲレノンAは抗真菌・抗寄生虫作用のあるジアリールヘプテノンで、炎症や筋骨格系疾患の治療に用いられる薬用植物、ジンギバー・オフィシナーレ（一般にショウガとして知られている）から単離される。

仕様

同義語

FWDXZNKYDTXGOT-GQCTYLIASA-N | (E)-Gingerenone A | DTXSID50873741 | HY-120912 | (4E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one | 4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E)- | C10460 | 4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)

仕様と純度

≥98%

保管条件

2～8℃で保存

入荷

濡れた氷

純度

≥98%

名前と識別子

パブケム・シド

504763385

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504763385

カノニカル・スマイル

COC1=C(C=CC(=C1)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC)O

IUPAC Name

(E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one

InChIKey

FWDXZNKYDTXGOT-GQCTYLIASA-N

INCHI

1S/C21H24O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h4,6,8-9,11-14,23-24H,3,5,7,10H2,1-2H3/b6-4+

異性体SMILES

COC1=C(C=CC(=C1)CC/C=C/C(=O)CCC2=CC(=C(C=C2)O)OC)O

分子量

356.41

Reaxy-Rn

18990678

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18990678&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Diarylheptanoids
      • Subclass Linear diarylheptanoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Diarylheptanoids
• Subclass: Linear diarylheptanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Linear diarylheptanoids
• Alternative Parents: Shogaols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Enones Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Linear 1,7-diphenylheptane skeleton - Shogaol - Methoxyphenol - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Ether - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
• External Descriptors: diarylheptanoid

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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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in DMSO, ethyl acetate, DMF, and dichloromethane.
• 分子量: 356.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 356.162 Da
• Monoisotopic Mass: 356.162 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 450.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1