α-Copaene - Moligand™, ≥90% , CAS No.3856-25-5

CAS: 3856-25-5 Cat. No.: C997651 Formula: C₁₅H₂₄ Molecular Weight: 204.35 EC Number: 223-364-4 PubChem CID: 12303902

GRADE & PURITY Moligand™, ≥90%

Synonyms

(–)-Copaene | (-)-ALPHA-COPAENE | Aglaiene | Copaen | Copaene | (1R,2S,6S,7S,8S)-1,3-dimethyl-8-(1-methylethyl)-tricyclo[4.4.0.02,7]dec-3-ene

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

α-Copaene is a potent attractant for male Mediterranean fruit flies Ceratitis capitata.α-Copaene can be found as a minor component in the essential oils of various plant species. α-Copaene can inhibit bacterial growth with a minimum inhibitory concentration of 0.5-1 μL/mL. α-Copaene suppresses biofilm formation by decreasing the hydrophobicity of the cell surface. α-Copaene can be used as an oviposition promoter of Bactrocera oleae.

Specifications

Synonyms

(–)-Copaene | (-)-ALPHA-COPAENE | Aglaiene | Copaen | Copaene | (1R,2S,6S,7S,8S)-1,3-dimethyl-8-(1-methylethyl)-tricyclo[4.4.0.02,7]dec-3-ene

Specifications & Purity

Moligand™, ≥90%

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.

Grade

Moligand™

Purity

≥90%

Names and Identifiers

• Canonical Smiles: CC1=CCC2C3C1C2(CCC3C(C)C)C
• IUPAC Name: (1R,2S,6S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
• InChIKey: VLXDPFLIRFYIME-BTFPBAQTSA-N
• INCHI: 1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14+,15+/m0/s1
• Isomeric SMILES: CC1=CC[C@H]2[C@H]3[C@@H]1[C@@]2(CC[C@H]3C(C)C)C
• PubChem CID: 12303902
• Molecular Weight: 204.35

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: Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Copaane sesquiterpenoid - Sesquiterpenoid - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - 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: 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

Chemical and Physical Properties

• Molecular Weight: 204.350 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 204.188 Da
• Monoisotopic Mass: 204.188 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 312.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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