Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:05:30 UTC |
---|
Update date | 2020-02-24 19:10:36 UTC |
---|
Primary ID | FDB002736 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | Morin |
---|
Description | Morin 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. Morin is a bitter tasting compound. Morin is found, on average, in the highest concentration within strawberries (Fragaria X ananassa). Morin has also been detected, but not quantified in, several different foods, such as fruits, redcurrants (Ribes rubrum), bilberries (Vaccinium myrtillus), european cranberries (Vaccinium oxycoccos), and lingonberries (Vaccinium vitis-idaea). This could make morin a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Morin. |
---|
CAS Number | 480-16-0 |
---|
Structure | |
---|
Synonyms | Synonym | Source |
---|
2',3,4',5,7-Pentahydroxyflavone | ChEBI | 2',4',3,5,7-Pentahydroxyflavone | ChEBI | 2',4',5,7-Tetrahydroxyflavan-3-ol | ChEBI | 2',4',5,7-Tetrahydroxyflavonol | ChEBI | 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one | ChEBI | 3,5,7,2',4'-Pentahydroxyflavone | ChEBI | C.I.Natural yellow 8 | ChEBI | 2',3,4',5,7-Pentahydroxy-flavone | HMDB | 2',4',5, 7-Tetrahydroxyflavan-3-ol | HMDB | 2'-Hydroxypelargidenolon 1522 | HMDB | 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 9ci | HMDB | 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one | HMDB | 3,5 7 2 4-Pentahydroxyflavone | HMDB | 3,5,7,2',4'-Pentahydroxyflavonol | HMDB | Al-morin | HMDB | Aurantica | HMDB | Bois D,arc | HMDB | C.I. 75660 | HMDB | C.I. natural yellow 11 | HMDB | C.I. natural yellow 8 | HMDB | calico Yellow | HMDB | Morin hydrate | HMDB, MeSH | Morin, reag | HMDB | Osage orange | HMDB | Osage orange crystals | HMDB | Osage orange extract | HMDB | Toxylon pomiferum | HMDB | 3,2',4',5,7-Pentahydroxyflavone | MeSH | 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 9CI | db_source | 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one | biospider | Bois d,arc | biospider | C.I. Natural yellow 11 | db_source | C.I. Natural yellow 8 | db_source | Calico yellow | biospider | Flavone, 2',3, 4',5,7-pentahydroxy- | biospider | Flavone, 2',3,4',5,7-pentahydroxy- | biospider | Morin | db_source |
|
---|
Predicted Properties | |
---|
Chemical Formula | C15H10O7 |
---|
IUPAC name | 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one |
---|
InChI Identifier | InChI=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 Key | YXOLAZRVSSWPPT-UHFFFAOYSA-N |
---|
Isomeric SMILES | OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 |
---|
Average Molecular Weight | 302.2357 |
---|
Monoisotopic Molecular Weight | 302.042652674 |
---|
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. |
---|
Kingdom | Organic compounds |
---|
Super Class | Phenylpropanoids and polyketides |
---|
Class | Flavonoids |
---|
Sub Class | Flavones |
---|
Direct Parent | Flavonols |
---|
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 Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
|
Disposition | Route of exposure: Source: Biological location: |
---|
Role | Industrial application: |
---|
Physico-Chemical Properties |
---|
Physico-Chemical Properties - Experimental | Property | Value | Reference |
---|
Physical state | Not Available | |
---|
Physical Description | Not Available | |
---|
Mass Composition | C 59.61%; H 3.33%; O 37.06% | DFC |
---|
Melting Point | Mp 303-304° | DFC |
---|
Boiling Point | Not Available | |
---|
Experimental Water Solubility | Not Available | |
---|
Experimental logP | 1.54 | HANSCH,C ET AL. (1995) |
---|
Experimental pKa | Not Available | |
---|
Isoelectric point | Not Available | |
---|
Charge | Not Available | |
---|
Optical Rotation | Not Available | |
---|
Spectroscopic UV Data | Not Available | |
---|
Density | Not Available | |
---|
Refractive Index | Not Available | |
---|
|
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
GC-MS | Morin, 5 TMS, GC-MS Spectrum | splash10-0560-3953230000-e5cc9aec411435ccf00e | Spectrum | GC-MS | Morin, non-derivatized, GC-MS Spectrum | splash10-0560-3953230000-e5cc9aec411435ccf00e | Spectrum | Predicted GC-MS | Morin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0079-0490000000-3a567ae73e283a90d7b8 | Spectrum | Predicted GC-MS | Morin, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00l2-2083079000-0968a32b41727ab72dd4 | Spectrum | Predicted GC-MS | Morin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
MS/MS | LC-MS/MS Spectrum - ESI-TOF 20V, Negative | splash10-0fk9-0193000000-da94b75048715f96e77f | 2017-08-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - ESI-TOF 40V, Negative | splash10-0002-0910000000-f4855d0bab3b1b8fa113 | 2017-08-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - ESI-TOF 10V, Negative | splash10-0udj-0159000000-3b5e183acbd84887fe16 | 2017-08-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - ESI-TOF 20V, Negative | splash10-0fk9-0193000000-da94b75048715f96e77f | 2017-09-12 | View Spectrum | MS/MS | LC-MS/MS Spectrum - ESI-TOF 40V, Negative | splash10-0002-0910000000-f4855d0bab3b1b8fa113 | 2017-09-12 | View Spectrum | MS/MS | LC-MS/MS Spectrum - ESI-TOF 10V, Negative | splash10-0udj-0159000000-3b5e183acbd84887fe16 | 2017-09-12 | View Spectrum | MS/MS | LC-MS/MS Spectrum - DI-ESI-qTof , Negative | splash10-0udi-0921000000-ff2132edb15ca1469eef | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - DI-ESI-qTof , Positive | splash10-0udi-0984000000-e2028244f5bef38ea281 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , negative | splash10-0fmi-0690000000-469ad7488f8e897e6b2d | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , negative | splash10-0udi-0229000000-a8199e25b519a14a7898 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , negative | splash10-0udi-0349000000-af5335d9f71bb7b4900b | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-TOF , negative | splash10-0fk9-0193000000-da94b75048715f96e77f | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-TOF , negative | splash10-0002-0910000000-f4855d0bab3b1b8fa113 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-08g0-0190000000-32079ac53e69b8956692 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-000b-0090000000-7d9c05a11578bc5a5791 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-0a4r-0290000000-4f5d8d64c096e355566f | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - , positive | splash10-0udi-0957000000-45912935a7fbe94f54b0 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QFT 21V, positive | splash10-0a4r-0190000000-b3e349d09acc7ec37ac4 | 2020-07-24 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-IT 21V, positive | splash10-0a4r-0290000000-3ee674d38fa696ed6b1e | 2020-07-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0029000000-f3c546f2f72d95625bd8 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0069000000-59d6756b632a0911dd84 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-4590000000-74b52db35534b4faccd7 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0009000000-8f8cf654c4d87d51c34a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0139000000-baaa885f7a846d9e7e5a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001r-5970000000-bcf1a1d494fa93b47574 | 2016-08-03 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | 4444989 |
---|
ChEMBL ID | CHEMBL28626 |
---|
KEGG Compound ID | C10105 |
---|
Pubchem Compound ID | 5281670 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Phenol-Explorer ID | 310 |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB30796 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | CNJ16-I:CNJ16-I |
---|
EAFUS ID | Not Available |
---|
Dr. Duke ID | Not Available |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | C00004624 |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | Not Available |
---|
SuperScent ID | Not Available |
---|
Wikipedia ID | Not Available |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
Food | Content Range | Average | Reference |
---|
Food | | | Reference |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | Not Available |
---|
Enzymes | Not Available |
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Flavor | Citations |
---|
bitter |
- 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 |
---|
MSDS | show |
---|
References |
---|
Synthesis Reference | Not Available |
---|
General Reference | Not 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.
|
---|