Diosmetin
precursor
Showing entry for Diosmetin
Identification
- PhytoHub ID
- PHUB000880
- Name
- Diosmetin
- Systematic Name
- Not Available
- Synonyms
- Luteolin 4'-methyl ether
- CAS Number
- Not Available
- Average Mass
- 300.266
- Monoisotopic Mass
- 300.063388106
- Chemical Formula
- C16H12O6
- IUPAC Name
- 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one
- InChI Key
- MBNGWHIJMBWFHU-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
- SMILES
COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O
- Structure
Structure for Diosmetin
Calculated Properties
- Solubility (ALOGPS)
- 7.54e-02 g/l
- LogS (ALOGPS)
- -3.60
- LogP (ALOGPS)
- 3.06
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 2
- Polar Surface Area
- 96.22000000000001
- Refractivity
- 79.37710000000001
- Polarizability
- 29.836699899501987
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -4.774841182688161
- pKa (strongest acidic)
- 6.577279820841693
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavones
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- O-methylated flavonoids
- Direct Parent Name
- 4'-O-methylated flavonoids
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Anisoles", "Chromones", "Flavones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Methoxybenzenes", "Methoxyphenols", "Organic oxides", "Oxacyclic compounds", "Phenoxy compounds", "Pyranones and derivatives", "Vinylogous acids"]
- External Descriptor Annotations
- ["3'-hydroxyflavonoid", "Flavones and Flavonols", "flavones", "monomethoxyflavone", "trihydroxyflavone"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "4p-methoxyflavonoid-skeleton", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Ether", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Phenol ether", "Phenoxy compound", "Pyran", "Pyranone", "Vinylogous acid"]
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| TY000129 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
| TY000130 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
| TY000231 | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Diosmetin | Diosmetin 3'-O-glucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C22H22O11 | 462.116211528 | Publications | |||
| Diosmin | Diosmetin | human | plasma | host-gut microbiota co-metabolite | 1h-3h | 200-500 nmol/L | No data | C16H12O6 | 300.063388106 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|