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Leptospermone

CAT: 0804-HY-114991-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-114991-02Size:10 mg
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Description
Leptospermone is a competitive, reversible inhibitor for p-Hydroxyphenylpyruvate dioxygenase (HPPD), with an IC50 of 12.1 μM. Leptospermone exhibits herbicidal activity for its bleaching effect[1].
CAS Number
567-75-9
UNSPSC
12352211
Target
HPPD
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/leptospermone.html
Purity
98.46
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C1C(C)(C(C(C)(C(C1C(CC(C)C)=O)=O)C)=O)C
Molecular Formula
C15H22O4
Molecular Weight
266.33
References & Citations
[1]Dayan FE, et al., p-Hydroxyphenylpyruvate dioxygenase is a herbicidal target site for beta-triketones from Leptospermum scoparium. Phytochemistry. 2007 Jul;68 (14) :2004-14.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Leptospermone

leptospermone has been reported in Leptospermum scoparium, Kunzea pauciflora, and other organisms with data available.

CAS Number567-75-9
PubChem CID3083632
IUPAC Name2,2,4,4-tetramethyl-6-(3-methylbutanoyl)cyclohexane-1,3,5-trione
Molecular FormulaC15H22O4
Molecular Weight266.33
XLogP2.9
Topological Polar Surface Area68.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity425
SMILES
CC(C)CC(=O)C1C(=O)C(C(=O)C(C1=O)(C)C)(C)C
InChI
InChI=1S/C15H22O4/c1-8(2)7-9(16)10-11(17)14(3,4)13(19)15(5,6)12(10)18/h8,10H,7H2,1-6H3
InChIKey
YDWYMAHAWHBPPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Leptospermone
CAS: 567-75-9
CID: 3083632
Formula: C15H22O4
MW: 266.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.33
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass266.15180918
Monoisotopic Mass266.15180918
Topological Polar Surface Area68.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity425
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19193888-01Leptospermone

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