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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:27:22 UTC
Update Date2023-02-21 17:23:31 UTC
HMDB IDHMDB0033700
Secondary Accession Numbers
  • HMDB33700
Metabolite Identification
Common Name(-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one
Description(-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety (-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one is a coconut, creamy, and jasmin tasting compound (-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one has been detected, but not quantified in, several different foods, such as green tea, herbal tea, black tea, herbs and spices, and red tea. This could make (-)-(Z)-tetrahydro-6-(2-pentenyl)-2H-pyran-2-one a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one.
Structure
Thumb
Synonyms
ValueSource
(Z)-7-Decen-5-olideHMDB
(Z)-Dec-7-en-5-olideHMDB
(Z)-tetrahydro-6-(2-Pentenyl)-2H-pyran-2-oneHMDB
5-Hydroxy-7(Z)-decenoic acid delta-lactoneHMDB
5-Hydroxy-7(Z)-decenoic acid-delta-lactoneHMDB
5-Hydroxy-7(Z)-decenoic acid-laquo deltaraquo -lactoneHMDB
cis-5-(2-Pentenyl)pentanolideHMDB
cis-7-Decen-5-olideHMDB
Dec-7(Z)-en-5-olideHMDB
FEMA 3745HMDB
tetrahydro-6-((Z)-2-Penten-1-yl)-2H-pyran-2-oneHMDB
tetrahydro-6-(2-Pentenyl)-(Z)-2H-pyran-2-oneHMDB
tetrahydro-6-(2Z)-2-Penten-1-yl-2H-pyran-2-oneHMDB
tetrahydro-6-(2Z)-2-Pentenyl-2H-pyran-2-oneHMDB
tetrahydro-6-(cis-2-Pentenyl)-2H-pyran-2-oneHMDB
Chemical FormulaC10H16O2
Average Molecular Weight168.2328
Monoisotopic Molecular Weight168.115029756
IUPAC Name6-[(2E)-pent-2-en-1-yl]oxan-2-one
Traditional Name6-[(2E)-pent-2-en-1-yl]oxan-2-one
CAS Registry Number25524-95-2
SMILES
CC\C=C\CC1CCCC(=O)O1
InChI Identifier
InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3+
InChI KeyXPPALVZZCMPTIV-ONEGZZNKSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactones
Sub ClassDelta valerolactones
Direct ParentDelta valerolactones
Alternative Parents
Substituents
  • Delta_valerolactone
  • Delta valerolactone
  • Oxane
  • Carboxylic acid ester
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point115.00 °C. @ 2.00 mm HgThe Good Scents Company Information System
Water Solubility614.3 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP2.117 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB011813
KNApSAcK IDC00023986
Chemspider ID4942576
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6438070
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1038021
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .