Guaiol - ≥99% , CAS No.489-86-1

CAS: 489-86-1 Cat. No.: G646994 分子式: C₁₅H₂₆O 分子量: 222.37 EC番号: 207-702-8 PubChem CID: 227829

GRADE & PURITY ≥99%

Synonyms

DTXSID40883399 | MFCD00043336 | SR-05000002468-1 | HY-N3980 | 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-, (3S,5R,8S)- | NAPROXEN IMPURITY N [EP IMPURITY] | AKOS040760436 | E88593 | Guai-1(5)-en-11-ol | Champacol; Guaiac alco

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Guaiol is a sesquiterpene alcohol that has been found in several traditional Chinese medicinal plants and has antiproliferative, pro-autophagic, insect repellent, and insecticidal biological activities .

Form:Solid

Specifications

同義語

DTXSID40883399 | MFCD00043336 | SR-05000002468-1 | HY-N3980 | 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-, (3S,5R,8S)- | NAPROXEN IMPURITY N [EP IMPURITY] | AKOS040760436 | E88593 | Guai-1(5)-en-11-ol | Champacol; Guaiac alco

仕様と純度

≥99%

生化学的・生理学的メカニズム

Guaiol is a sesquiterpene alcohol that has been found in several traditional Chinese medicinal plants and has antiproliferative, pro-autophagic, insect repellent, and insecticidal biological activities.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99%

名前と識別子

• パブケム・シド: 528764767
• カノニカル・スマイル: CC1CCC(CC2=C1CCC2C)C(C)(C)O
• IUPAC Name: 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol
• InChIKey: TWVJWDMOZJXUID-SDDRHHMPSA-N
• INCHI: 1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1
• 異性体SMILES: C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)O
• WGKドイツ: 3
• PubChem CID: 227829
• 分子量: 222.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Tertiary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Sesquiterpenoid - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• External Descriptors: Guaiane sesquiterpenoids

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（非人間）

Pseudomonas aeruginosa (123386 Activities)

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Shigella flexneri (1836 Activities)

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Escherichia coli (133304 Activities)

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Salmonella typhi (4293 Activities)

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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: DMSO : 33.33 mg/mL (149.89 mM; Need ultrasonic)
• 分子量: 222.370 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 222.198 Da
• Monoisotopic Mass: 222.198 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 301.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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