precursor
Showing entry for Eriodictyol-6-C-glucoside
Identification
- PhytoHub ID
- PHUB000402
- Name
- Eriodictyol-6-C-glucoside
- 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-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzopyran-4-one
- InChI Key
- FNJRUYGFVNGXTL-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C21H22O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-3,5,12,14,17,19-24,26-30H,4,6H2
- SMILES
OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(CC2=O)C2=CC(O)=C(O)C=C2)C=C1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 3.18e+00 g/l
- LogS (ALOGPS)
- -2.15
- LogP (ALOGPS)
- -0.10
- Hydrogen Acceptors
- 11
- Hydrogen Donors
- 8
- Rotatable Bond Count
- 3
- Polar Surface Area
- 197.36999999999998
- Refractivity
- 106.38899999999997
- Polarizability
- 44.11539050110881
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.644730891778007
- pKa (strongest acidic)
- 7.421984499163939
External Links
- PubChem
- 44715644
Taxonomy
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavanones
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Rooibos tea | Beverages, Non-alcoholic | Publications | Show |
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Eriodictyol-6-C-glucoside | Eriodictyol O-glucuronide | human | urine (minor) | C21H20O12 | 464.3829549 | Publications | ||
Eriodictyol-6-C-glucoside | Eriodictyol O-sulfate | human | urine (major) | C15H12O9S | 368.3194001 | Publications |