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β-Cyclocitral-d5

CAT: 0804-HY-W700062Size: 1 EachDry Ice: NoHazardous: No
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Description
β-Cyclocitral-d5 is the deuterium labeled β-Cyclocitral. β-Cyclocitral, a volatile oxidized derivative of β-carotene, is a grazer defence signal unique to the Cyanobacterium Microcystis. β-Cyclocitral, one of the predominant volatile terpenoid compounds, can upregulate the expression of defence genes to enhance excess light (EL) acclimation. β-Cyclocitral is a powerful repellent[1][2][3].
CAS Number
78995-98-9
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
O=CC1=C(C([2H])(CCC1(C)C)[2H])C([2H])([2H])[2H]
Molecular Formula
C10H11D5O
Molecular Weight
157.26
References & Citations
[1]Alexandra J Dickinson, et al. β-Cyclocitral Is a Conserved Root Growth Regulator. Proc Natl Acad Sci U S A. 2019 May 21;116 (21) :10563-10567.;2.|[2]Feifei Lv, et al. β-Cyclocitral Upregulates Salicylic Acid Signalling to Enhance Excess Light Acclimation in Arabidopsis. J Exp Bot. 2015 Aug;66 (15) :4719-3|[3]Friedrich Jüttner, et al. β-Cyclocitral, a Grazer Defence Signal Unique to the Cyanobacterium Microcystis. J Chem Ecol. 2010 Dec;36 (12) :1387-97.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

beta-Cyclocitral-d5
CAS Number78995-98-9
PubChem CID12305384
IUPAC Name3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexene-1-carbaldehyde
Molecular FormulaC10H16O
Molecular Weight157.26
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity199
SMILES
[2H]C1(CCC(C(=C1C([2H])([2H])[2H])C=O)(C)C)[2H]
InChI
InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3/i1D3,5D2
InChIKey
MOQGCGNUWBPGTQ-RPIBLTHZSA-N
Chemical Structure
2D Structure
2D structure of beta-Cyclocitral-d5
CAS: 78995-98-9
CID: 12305384
Formula: C10H16O
MW: 157.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.26
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass157.151498859
Monoisotopic Mass157.151498859
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity199
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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