Eriodictyol-8-C-glucoside
precursor
Showing entry for Eriodictyol-8-C-glucoside
Identification
- PhytoHub ID
- PHUB000403
- Name
- Eriodictyol-8-C-glucoside
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 450.396
- Monoisotopic Mass
- 450.116211528
- Chemical Formula
- C21H22O11
- IUPAC Name
- 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-one
- InChI Key
- CMVYWFJFAHQVQP-GJNDOSSTSA-N
- InChI Identifier
InChI=1S/C21H22O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-4,13-14,17-19,21-26,28-30H,5-6H2/t13?,14-,17-,18+,19-,21+/m1/s1
- SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=C(O)C(O)=C1
- Structure
Structure for Eriodictyol-8-C-glucoside
Calculated Properties
- Solubility (ALOGPS)
- 3.25e+00 g/l
- LogS (ALOGPS)
- -2.14
- LogP (ALOGPS)
- -0.17
- Hydrogen Acceptors
- 11
- Hydrogen Donors
- 8
- Rotatable Bond Count
- 3
- Polar Surface Area
- 197.36999999999998
- Refractivity
- 106.38900000000002
- Polarizability
- 42.60019881107428
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.979192627705511
- pKa (strongest acidic)
- 7.453718913332286
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavanones
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Rooibos tea | Beverages, Non-alcoholic | Publications | Show |
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Eriodictyol-8-C-glucoside | Eriodictyol-glucuronide | human | urine (minor) | host metabolism | Not Available | Not Available | Not Available | C21H20O12 | 464.3829549 | Publications | |||
| Eriodictyol-8-C-glucoside | Eriodictyol sulfate | human | urine (major) | host metabolism | Not Available | Not Available | Not Available | C15H12O9S | 368.3194001 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|