Structure Database (LMSD)

Common Name
piperitenone
Systematic Name
p-mentha-1,4(8)-dien-3-one
Synonyms
  • Piperitenone
  • piperitenone
LM ID
LMPR0102090056
Formula
C10H14O
Exact Mass
Calculate m/z
150.104465
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Menthane monoterpenoids [PR010209]

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
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

KEGG ID
C01951
HMDB ID
HMDB0036999
CHEBI ID
17304
PubChem CID
381152
Cayman ID
25752

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

Admin

Created at
-
Updated at
-