Record Information
Version1.0
Creation date2010-04-08 22:11:54 UTC
Update date2019-11-26 03:11:48 UTC
Primary IDFDB015545
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameEugenin
DescriptionConstituent of Eugenia aromatica (clove). Eugenin is found in many foods, some of which are wild carrot, carrot, herbs and spices, and java plum.
CAS Number480-34-2
Structure
Thumb
Synonyms
SynonymSource
4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-methyl-biospider
5-Hydroxy-7-methoxy-2-methyl-4H-1-benzopyran-4-onedb_source
5-hydroxy-7-methoxy-2-methyl-4H-chromen-4-onebiospider
5-Hydroxy-7-methoxy-2-methyl-chromoneHMDB
5-Hydroxy-7-methoxy-2-methylchromen-4-oneChEBI
5-Hydroxy-7-methoxy-2-methylchromonedb_source
5-Hydroxy-7-methoxy-2-methylchronebiospider
Chromone, 5-hydroxy-7-methoxy-2-methyl-biospider
Eugenindb_source
Predicted PropertiesNot Available
Chemical FormulaC11H10O4
IUPAC name
InChI IdentifierInChI=1S/C11H10O4/c1-6-3-8(12)11-9(13)4-7(14-2)5-10(11)15-6/h3-5,13H,1-2H3
InChI KeySUTUBQHKZRNZRA-UHFFFAOYSA-N
Isomeric SMILESCOC1=CC(O)=C2C(=O)C=C(C)OC2=C1
Average Molecular Weight206.1947
Monoisotopic Molecular Weight206.057908808
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 64.07%; H 4.89%; O 31.04%DFC
Melting PointMp 119-120°DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV Data288 (e 7950) (EtOH) (Berdy)DFC
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID9777
ChEMBL IDCHEMBL446974
KEGG Compound IDC20210
Pubchem Compound ID10189
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB36627
CRC / DFC (Dictionary of Food Compounds) IDKDD24-X:KDD27-A
EAFUS IDNot Available
Dr. Duke IDEUGENIN|EUGENINE
BIGG IDNot Available
KNApSAcK IDC00030226
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
anti aggregantDUKE
anti plateletDUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.