Guaiol - ≥99% , CAS No.489-86-1

CAS: 489-86-1 Cat. No.: G646994 Formula: C₁₅H₂₆O Peso molecolare: 222.37 Numero EC: 207-702-8 PubChem CID: 227829

QUALITÀ & PUREZZA ≥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

Panoramica

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

Specifiche

Sinonimi

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

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

528764767

Sorrisi canonici

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

Isomeri SMILES

C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)O

WGK Germania

3

PubChem CID

227829

Peso molecolare

222.37

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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

Obiettivi associati (non umani)

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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : 33.33 mg/mL (149.89 mM; Need ultrasonic)
• Peso molecolare: 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