Guaiol - ≥99% , CAS No.489-86-1

CAS: 489-86-1 Cat. No.: G646994 Molecular Weight: 222.37 EC Number: 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

Overview

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

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)O
• WGK Germany: 3
• PubChem CID: 227829
• Molecular Weight: 222.37

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Associated Targets(non-human)

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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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 33.33 mg/mL (149.89 mM; Need ultrasonic)
• Molecular Weight: 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