Morin
precursor
Showing entry for Morin
Identification
- PhytoHub ID
- PHUB000693
- Name
- Morin
- Systematic Name
- Not Available
- Synonyms
- 3,5,7,2',4'-Pentahydroxyflavone
- CAS Number
- Not Available
- Average Mass
- 302.238
- Monoisotopic Mass
- 302.042652662
- Chemical Formula
- C15H10O7
- IUPAC Name
- 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
- InChI Key
- YXOLAZRVSSWPPT-UHFFFAOYSA-N
- 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
- SMILES
OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 3.05e-01 g/l
- LogS (ALOGPS)
- -3.00
- LogP (ALOGPS)
- 2.23
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 1
- Polar Surface Area
- 127.45000000000002
- Refractivity
- 76.8622
- Polarizability
- 28.382718508839606
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -4.063175207638123
- pKa (strongest acidic)
- 6.368742132089664
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 75092
- PubChem
- 5281670
- Chemistry Dashboard
- DTXSID1022398
- KNApSAcK
- C00004624
- MetaboLights
- MTBLC75092
- Phenol-Explorer
- 310
- FooDB (Compounds)
- FDB002736
- PeakForestCompound
- 000546
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavonols
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Flavones
- Direct Parent Name
- Flavonols
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Polyols", "Pyranones and derivatives", "Resorcinols", "Vinylogous acids"]
- External Descriptor Annotations
- ["7-hydroxyflavonol", "Flavones and Flavonols", "flavonols", "pentahydroxyflavone"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3-hydroxyflavone", "3-hydroxyflavonoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Polyol", "Pyran", "Pyranone", "Resorcinol", "Vinylogous acid"]
Spectra from Online Resources
Record ID | Source | Description | View |
---|---|---|---|
TY000148 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Morin | Morin | rat | plasma | unchanged | 3h-5h | Not Available | Not Available | C15H10O7 | 302.042652662 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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