Guaiol - ≥99% , CAS No.489-86-1

CAS: 489-86-1 Cat. No.: G646994 Peso molecular: 222.37 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

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.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)O
• WGK Alemania: 3
• PubChem CID: 227829
• Peso molecular: 222.37

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

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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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 33.33 mg/mL (149.89 mM; Need ultrasonic)
• Peso molecular: 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