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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:46:37 UTC
Update Date2022-03-07 02:55:46 UTC
HMDB IDHMDB0038457
Secondary Accession Numbers
  • HMDB38457
Metabolite Identification
Common NameDihydrocapsaicin
DescriptionDihydrocapsaicin is found in pepper (C. annuum). It is a potential nutriceutical. Dihydrocapsaicin is a capsaicinoid and analog and congener of capsaicin in chili peppers (Capsicum). Like capsaicin it is an irritant. Dihydrocapsaicin accounts for about 22% of the total capsaicinoids mixture and has about the same pungency as capsaicin. Pure dihydrocapsaicin is a lipophilic colorless odorless crystalline to waxy compound. It is soluble in dimethyl sulfoxide and 100 % ethanol.
Structure
Thumb
Synonyms
ValueSource
6,7-DihydrocapsaicinChEBI
8-Methyl-N-vanillylnonanamideChEBI
8-Methyl dihydrocapsaicinHMDB
8-Methyl-N-vanillyl-nonanamideHMDB
DihydrocapsacineHMDB
N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamideHMDB
N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methylnonanamideHMDB
N-(4-Hydroxy-3-methoxybenzyl)-8-methylnonanamideHMDB
Chemical FormulaC18H29NO3
Average Molecular Weight307.4278
Monoisotopic Molecular Weight307.214743799
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide
Traditional Namedihydrocapsaicin
CAS Registry Number19408-84-5
SMILES
COC1=C(O)C=CC(CNC(=O)CCCCCCC(C)C)=C1
InChI Identifier
InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)
InChI KeyXJQPQKLURWNAAH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassMethoxyphenols
Direct ParentMethoxyphenols
Alternative Parents
Substituents
  • Methoxyphenol
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Carboximidic acid
  • Carboximidic acid derivative
  • Ether
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organooxygen compound
  • Organopnictogen compound
  • Organic nitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point65.5 - 65.8 °CNot Available
Boiling Point497.00 to 498.00 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility2.81 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP3.556 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Extracellular
  • 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 ID716
FooDB IDFDB017816
KNApSAcK IDC00053028
Chemspider ID97096
KEGG Compound IDC16952
BioCyc IDCPD-9185
BiGG IDNot Available
Wikipedia LinkDihydrocapsaicin
METLIN IDNot Available
PubChem Compound107982
PDB IDNot Available
ChEBI ID46932
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1381461
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.. .