Structure Database (LMSD)
Common Name
piperitenone
Systematic Name
p-mentha-1,4(8)-dien-3-one
Synonyms
- Piperitenone
- piperitenone
No other lipid differing only in stereochemistry/bond geometry found
3D model of piperitenone
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
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Cannabis sativa
(#3483)
Magnoliopsida
(#3398)
Minor components of cannabis resin. IV. Mass spectrometric data and gas chromatographic retention times of terpenic components with retention times shorter than that of cannabidiol.,
J Chromatogr, 1974
J Chromatogr, 1974
Pubmed ID:
4414686
String Representations
InChiKey (Click to copy)
HKZQJZIFODOLFR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3
SMILES (Click to copy)
C1(=CC(/C(/CC1)=C(\C)/C)=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
1
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
170.07
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.63
Molar Refractivity
46.37
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