Structure Database (LMSD)
Common Name
(E)-beta-ocimene
Systematic Name
3,7-dimethyl-1,3E,6-octatriene
Synonyms
3D model of (E)-beta-ocimene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
β-Ocimene is a monoterpene that has been found in a variety of plants and is a volatile compound involved in plant-plant signaling and plant defense against pests.1,2 It is emitted by tea (C. sinensis) plants in response to a jasmonic acid combined with mechanical damage (JAMD) model of herbivore attack.1 β-Ocimene reduces the number of winged aphids (M. persicae) that settle on Chinese cabbage and the feeding time and number of nymphs produced by aphids on leaves.2 The aphid endoparasitoid A. gifuensis demonstrates a preference for β-ocimene-treated Chinese cabbage over control plants in a wind tube two-choice test. β-Ocimene (100-1,000 ppm) also has antioxidant activity in a thiobarbituric acid reactive substances (TBARS) assay.3
This information has been provided by Cayman Chemical
References
2. Zeng, L., Liao, Y., Li, J., et al. α-Farnesene and ocimene induce metabolite changes by volatile signaling in neighboring tea (Camellia sinensis) plants. Plant Sci. 264, 29-36 (2017).
3. Kang, Z.-W., Liu, F.-H., Zhang, Z.-F., et al. Volatile β-ocimene can regulate developmental performance of peach aphid Myzus persicae through activation of defense responses in chinese cabbage Brassica pekinensis. Front. Plant Sci. 9:708, (2018).
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Arabidopsis thaliana
(#3702)
Magnoliopsida
(#3398)
Functional identification of AtTPS03 as (E)-beta-ocimene synthase: a monoterpene synthase catalyzing jasmonate- and wound-induced volatile formation in Arabidopsis thaliana.,
Planta, 2003
Planta, 2003
Pubmed ID:
12624761
String Representations
InChiKey (Click to copy)
IHPKGUQCSIINRJ-CSKARUKUSA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
SMILES (Click to copy)
C(=C(/C=C)\C)\C/C=C(/C)\C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
173.64
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.48
Molar Refractivity
48.00
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Updated at
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