(−)-Globulol - ≥98.5%(GC), sum of enantiomers , CAS No.489-41-8

CAS: 489-41-8 Cat. No.: G465419 Summenformel: C₁₅H₂₆O Molekulargewicht: 222.37 PubChem CID: 12304985

GRADE & PURITY ≥98.5%(GC), sum of enantiomers

Synonyms

Globulol | (1aR,4R,4aR,7R,7aS,7bS)-Decahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-4-ol

Storage

Room temperature

Shipped In

Normal

Übersicht

Description

Globulol is a sesquiterpene that is isolated fromEucalyptus globulusLabill (Myrtaceae) fruits and leaves ofSchinus areira. Globulol is a sweet, fruity, and green flavored chemical which can be found in different food products, including peppermint, orange mint, spearmint, and sweet bay. Globulol has also been reported as an active antioxidant and an antifungal agent.

Specifications

Synonyme

Globulol | (1aR,4R,4aR,7R,7aS,7bS)-Decahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-4-ol

Spezifikationen & Reinheit

≥98.5%(GC), sum of enantiomers

Storage

Room temperature

Verschickt in

Normal

Aktionsart

INHIBITOR

Reinheit

≥98.5%(GC)

Namen und Kennungen

• Pubchem Sid: 528752733
• Kanonisches Lächeln: C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@@H](CC[C@@]2(C)O)C3(C)C
• IUPAC Name: (1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
• InChIKey: AYXPYQRXGNDJFU-QTPLKFIXSA-N
• INCHI: 1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,15-/m1/s1
• Isomere SMILES: C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CC[C@@]2(C)O
• WGK Deutschland: 3
• PubChem CID: 12304985
• Molekulargewicht: 222.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Sesquiterpenoids
        • Ebene5 Aromadendrane sesquiterpenoids
          • Ebene6 5,10-cycloaromadendrane sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Aromadendrane sesquiterpenoids
• Direct Parent: 5,10-cycloaromadendrane sesquiterpenoids
• Alternative Parents: Guaianes Tertiary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: 5,10-cycloaromadendrane sesquiterpenoid - Guaiane sesquiterpenoid - Tertiary alcohol - Cyclic alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 5,10-cycloaromadendrane sesquiterpenoids. These are aromadendrane sesquiterpenoids that arise from the C5-C10 cyclization of the aromadendrane skeleton.
• External Descriptors: Not available

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

Zugehörige Ziele (menschlich)

MET Tclin Hepatocyte growth factor receptor (10718 Activities)

Discover Target: MET

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Salmonella typhimurium (15756 Activities)

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Vibrio parahaemolyticus (473 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Listeria monocytogenes (2626 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 87-89 °C
• Molekulargewicht: 222.370 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• 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: 309.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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