Record Information
Version1.0
Creation date2010-04-08 22:05:30 UTC
Update date2020-02-24 19:10:36 UTC
Primary IDFDB002736
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameMorin
DescriptionMorin, also known as al-morin or aurantica, belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, morin is considered to be a flavonoid lipid molecule. Morin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Morin is a bitter tasting compound. Morin is found, on average, in the highest concentration within strawberries. Morin has also been detected, but not quantified in, several different foods, such as european cranberries, lingonberries, blackcurrants, bilberries, and redcurrants. This could make morin a potential biomarker for the consumption of these foods.
CAS Number480-16-0
Structure
Thumb
Synonyms
SynonymSource
2',3,4',5,7-PentahydroxyflavoneChEBI
2',4',3,5,7-PentahydroxyflavoneChEBI
2',4',5,7-Tetrahydroxyflavan-3-olChEBI
2',4',5,7-TetrahydroxyflavonolChEBI
2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-oneChEBI
3,5,7,2',4'-PentahydroxyflavoneChEBI
C.I.Natural yellow 8ChEBI
2',3,4',5,7-Pentahydroxy-flavoneHMDB
2',4',5, 7-Tetrahydroxyflavan-3-olHMDB
2'-Hydroxypelargidenolon 1522HMDB
2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 9ciHMDB
2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-oneHMDB
3,5 7 2 4-PentahydroxyflavoneHMDB
3,5,7,2',4'-PentahydroxyflavonolHMDB
Al-morinHMDB
AuranticaHMDB
Bois D,arcHMDB
C.I. 75660HMDB
C.I. natural yellow 11HMDB
C.I. natural yellow 8HMDB
Calico yellowHMDB
Morin hydrateHMDB
Morin, reagHMDB
Osage orangeHMDB
Osage orange crystalsHMDB
Osage orange extractHMDB
Toxylon pomiferumHMDB
3,2',4',5,7-PentahydroxyflavoneMeSH
2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 9CIdb_source
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-onebiospider
Bois d,arcbiospider
C.I. Natural yellow 11db_source
C.I. Natural yellow 8db_source
Flavone, 2',3, 4',5,7-pentahydroxy-biospider
Flavone, 2',3,4',5,7-pentahydroxy-biospider
Morindb_source
Predicted Properties
PropertyValueSource
Water Solubility0.3 g/LALOGPS
logP2.23ALOGPS
logP2.16ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)6.43ChemAxon
pKa (Strongest Basic)-4.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area127.45 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity76.86 m³·mol⁻¹ChemAxon
Polarizability28.38 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC15H10O7
IUPAC name2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
InChI IdentifierInChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
InChI KeyYXOLAZRVSSWPPT-UHFFFAOYSA-N
Isomeric SMILESOC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
Average Molecular Weight302.2357
Monoisotopic Molecular Weight302.042652674
Classification
Description belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavones
Direct ParentFlavonols
Alternative Parents
Substituents
  • 3-hydroxyflavone
  • 3-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • Resorcinol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Pyranone
  • Monocyclic benzene moiety
  • Pyran
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous acid
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Organic oxygen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 59.61%; H 3.33%; O 37.06%DFC
Melting PointMp 303-304°DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logP1.54HANSCH,C ET AL. (1995)
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - GC-MS (5 TMS)splash10-0560-3953230000-e5cc9aec411435ccf00eJSpectraViewer | MoNA
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-0560-3953230000-e5cc9aec411435ccf00eJSpectraViewer | MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0079-0490000000-3a567ae73e283a90d7b8JSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positivesplash10-00l2-2083079000-0968a32b41727ab72dd4JSpectraViewer
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF 20V, Negativesplash10-0fk9-0193000000-da94b75048715f96e77fJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF 40V, Negativesplash10-0002-0910000000-f4855d0bab3b1b8fa113JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF 10V, Negativesplash10-0udj-0159000000-3b5e183acbd84887fe16JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF 20V, Negativesplash10-0fk9-0193000000-da94b75048715f96e77fJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF 40V, Negativesplash10-0002-0910000000-f4855d0bab3b1b8fa113JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - ESI-TOF 10V, Negativesplash10-0udj-0159000000-3b5e183acbd84887fe16JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - DI-ESI-qTof , Negativesplash10-0udi-0921000000-ff2132edb15ca1469eefJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - DI-ESI-qTof , Positivesplash10-0udi-0984000000-e2028244f5bef38ea281JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-0fmi-0690000000-469ad7488f8e897e6b2dJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-0udi-0229000000-a8199e25b519a14a7898JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , negativesplash10-0udi-0349000000-af5335d9f71bb7b4900bJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-TOF , negativesplash10-0fk9-0193000000-da94b75048715f96e77fJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-TOF , negativesplash10-0002-0910000000-f4855d0bab3b1b8fa113JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-08g0-0190000000-32079ac53e69b8956692JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-000b-0090000000-7d9c05a11578bc5a5791JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - Linear Ion Trap , positivesplash10-0a4r-0290000000-4f5d8d64c096e355566fJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - , positivesplash10-0udi-0957000000-45912935a7fbe94f54b0JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QFT 21V, positivesplash10-0a4r-0190000000-b3e349d09acc7ec37ac4JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-IT 21V, positivesplash10-0a4r-0290000000-3ee674d38fa696ed6b1eJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-0029000000-f3c546f2f72d95625bd8JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-0069000000-59d6756b632a0911dd84JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-4590000000-74b52db35534b4faccd7JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-0009000000-8f8cf654c4d87d51c34aJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-0139000000-baaa885f7a846d9e7e5aJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001r-5970000000-bcf1a1d494fa93b47574JSpectraViewer
ChemSpider ID4444989
ChEMBL IDCHEMBL28626
KEGG Compound IDC10105
Pubchem Compound ID5281670
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer ID310
DrugBank IDNot Available
HMDB IDHMDB30796
CRC / DFC (Dictionary of Food Compounds) IDCNJ16-I:CNJ16-I
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDC00004624
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
Flavours
FlavorCitations
bitter
  1. Ayana Wiener, Marina Shudler, Anat Levit, Masha Y. Niv. BitterDB: a database of bitter compounds. Nucleic Acids Res 2012, 40(Database issue):D413-419. DOI:10.1093/nar/gkr755
Files
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References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Rothwell JA, Pérez-Jiménez J, Neveu V, Medina-Ramon A, M'Hiri N, Garcia Lobato P, Manach C, Knox K, Eisner R, Wishart D, Scalbert A. (2013) Phenol-Explorer 3.0: a major update of the Phenol-Explorer database to incorporate data on the effects of food processing on polyphenol content. Database, 10.1093/database/bat070.