Record Information
Version1.0
Creation date2010-04-08 22:15:15 UTC
Update date2019-11-26 03:19:25 UTC
Primary IDFDB020775
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameUralene
DescriptionConstituent of the leaves of Glycyrrhiza uralensis (Chinese licorice). Uralene is found in herbs and spices.
CAS Number150853-99-9
Structure
Thumb
Synonyms
SynonymSource
2-[4,5-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-5,6-dihydroxy-3-methoxy-4H-1-benzopyran-4-onebiospider
4',5,5',6-Tetrahydroxy-3-methoxy-2'-prenylflavonedb_source
5,6,3',4'-Tetrahydroxy-3-methoxy-6'-isoprenylflavonebiospider
Uralenedb_source
Predicted PropertiesNot Available
Chemical FormulaC21H20O7
IUPAC name
InChI IdentifierInChI=1S/C21H20O7/c1-10(2)4-5-11-8-14(23)15(24)9-12(11)20-21(27-3)19(26)17-16(28-20)7-6-13(22)18(17)25/h4,6-9,22-25H,5H2,1-3H3
InChI KeyQSIXTSXIETZHGN-UHFFFAOYSA-N
Isomeric SMILESCOC1=C(OC2=C(C(O)=C(O)C=C2)C1=O)C1=CC(O)=C(O)C=C1CC=C(C)C
Average Molecular Weight384.3793
Monoisotopic Molecular Weight384.120902994
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Biological location:

Source:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 65.62%; H 5.24%; O 29.14%DFC
Melting PointMp 216-218°DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID167059
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID192490
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB40934
CRC / DFC (Dictionary of Food Compounds) IDMZC51-S:MZC52-T
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDC00005030
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 / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference