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Showing Compound Faradiol (FDB014590)

Record Information
Version1.0
Creation date2010-04-08 22:11:21 UTC
Update date2019-11-26 03:10:23 UTC
Primary IDFDB014590
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameFaradiol
DescriptionConstituent of Tussilago farfara (coltsfoot), Helianthus annuus (sunflower) and Calendula officinalis (pot marigold). Faradiol is found in many foods, some of which are tea, dandelion, sunflower, and fats and oils.
CAS Number20554-95-4
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(3beta,12beta,18alpha,19alpha)-Urs-20-ene-3,12-diolbiospider
18alpha,19betaH-Urs-20-ene-3beta,16beta-diolbiospider
Faradioldb_source
Isoarnidendioldb_source
Urs-20-ene-3,12-diol, (3beta,12beta,18alpha,19alpha)-biospider
Predicted PropertiesNot Available
Chemical FormulaC30H50O2
IUPAC name
InChI IdentifierInChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h11,19-25,31-32H,9-10,12-17H2,1-8H3
InChI KeyBNHIQKVOPNHQKO-UHFFFAOYSA-N
Isomeric SMILESCC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CC=C1C
Average Molecular Weight442.7168
Monoisotopic Molecular Weight442.381080844
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Biological location:

Source:

Process

Naturally occurring process:

Role

Industrial application:

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 81.39%; H 11.38%; O 7.23%DFC
Melting PointMp 236-237°DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical Rotation[a]D +44DFC
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID550855
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID634598
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB35826
CRC / DFC (Dictionary of Food Compounds) IDJSV36-E:JSV40-B
EAFUS IDNot Available
Dr. Duke IDFARADIOL
BIGG IDNot Available
KNApSAcK IDNot Available
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 edemicDUKE
anti inflammatory35472 A substance that reduces or suppresses inflammation.DUKE
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).