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(−)-Globulol - ≥98.5% (sum of enantiomers, GC), high purity , CAS No.489-41-8
Basic Description
Synonyms
Globulol | (1aR,4R,4aR,7R,7aS,7bS)-Decahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-4-ol
Specifications & Purity
≥98.5%(GC), sum of enantiomers
Product Description
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.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
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
Description
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
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
INCHI
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
InChIKey
AYXPYQRXGNDJFU-QTPLKFIXSA-N
Smiles
C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@@H](CC[C@@]2(C)O)C3(C)C
Isomeric 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 Germany
3
PubChem CID
12304985
Molecular Weight
222.37
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
87-89 °C
Molecular Weight
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
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J2422383