Structure Database (LMSD)
Common Name
(Z)-alpha-ocimene
Systematic Name
3,7-dimethyl-1,3Z,7-octatriene
Synonyms
3D model of (Z)-alpha-ocimene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
XJPBRODHZKDRCB-NTMALXAHSA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8-
SMILES (Click to copy)
C(=C(/C)\C=C)\CCC(=C)C
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
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
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
Admin
Created at
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Updated at
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