precursor
Showing entry for Eriodictyol
Identification
- PhytoHub ID
- PHUB000378
- Name
- Eriodictyol
- Synonyms
- 5,7,3',4'-Tetrahydroxyflavanone
- CAS Number
- Not Available
- Average Mass
- 288.255
- Monoisotopic Mass
- 288.063388106
- Chemical Formula
- C15H12O6
- IUPAC Name
- eriodictyol
- InChI Key
- SBHXYTNGIZCORC-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2
- SMILES
OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC(O)=C(O)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 3.66e-01 g/l
- LogS (ALOGPS)
- -2.90
- LogP (ALOGPS)
- 2.15
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 1
- Polar Surface Area
- 107.22000000000001
- Refractivity
- 73.27069999999999
- Polarizability
- 27.326042752894896
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.950235552435861
- pKa (strongest acidic)
- 7.847641206936137
Taxonomy
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavanones
Spectra
Record ID | Source | Description | View |
---|---|---|---|
PR040011 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M-H]- | View Spectra |
PR040012 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [2M-H]- | View Spectra |
PR040013 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [M-H]- | View Spectra |
PR040014 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [2M-H]- | View Spectra |
PR040015 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, [M+H]+ | View Spectra |
PR040016 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+ | View Spectra |
PR100226 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR100639 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PS039801 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
PS039802 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
PS039803 | ReSpect | N/A Spectrum - 30, [M+H]+ | View Spectra |
PS039804 | ReSpect | N/A Spectrum - 40, [M+H]+ | View Spectra |
PS039805 | ReSpect | N/A Spectrum - 50, [M+H]+ | View Spectra |
PS039807 | ReSpect | N/A Spectrum - 10, [M-H]- | View Spectra |
PS039808 | ReSpect | N/A Spectrum - 20, [M-H]- | View Spectra |
PS039809 | ReSpect | N/A Spectrum - 30, [M-H]- | View Spectra |
PS039810 | ReSpect | N/A Spectrum - 40, [M-H]- | View Spectra |
PS039811 | ReSpect | N/A Spectrum - 50, [M-H]- | View Spectra |
PS039812 | ReSpect | N/A Spectrum - 60, [M-H]- | View Spectra |
Food Sources
Precursor | Food Source | Food Source Group | |||
---|---|---|---|---|---|
Hesperetin | Lemon | Fruit, Citrus | Show | ||
Hesperetin | Lime | Fruit, Citrus | Show | ||
Hesperetin | Orange juice | Beverages, Non-alcoholic | Show | ||
Hesperetin | Sweet orange | Fruit, Citrus | Show |
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Eriodictyol | Hesperetin | rat | plasma, urine | C16H14O6 | 302.079038171 | Publications | ||
Eriodictyol | Dihydrocaffeic acid | in vitro (human) rat | urine | C9H10O4 | 182.057908808 | Publications | ||
Eriodictyol | Dihydrocaffeic acid glucuronide | rat | urine | C15H18O10 | 358.3021714 | Publications | ||
Eriodictyol | Eriodictyol 7-O-glucuronide | human rat | urine (major) | C21H20O12 | 464.095476084 | Publications | ||
Eriodictyol | Hesperetin glucuronide | rat | urine | C22H22O12 | 478.4099437 | Publications | ||
Eriodictyol | Homoeriodictyol | rat | urine | C16H14O6 | 302.07903818 | Publications | ||
Eriodictyol | Homoeriodictyol glucuronide | rat | urine | C22H22O12 | 478.4099437 | Publications | ||
Eriodictyol | Phloroglucinol | in vitro (human) | Not Available | C6H6O3 | 126.031694058 | Publications | ||
Hesperetin | Eriodictyol | in vitro (pig) | Not Available | C15H12O6 | 288.063388106 | Publications |