Eriodictyol-6-C-glucoside
precursor
Showing entry for Eriodictyol-6-C-glucoside
Identification
- PhytoHub ID
- PHUB000402
- Name
- Eriodictyol-6-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-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-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
- -1
- pKa (strongest basic)
- -2.9791926269403
- pKa (strongest acidic)
- 7.421984550478682
- 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
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Flavonoid glycosides
- Direct Parent Name
- Flavonoid C-glycosides
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Aryl alkyl ketones", "Benzene and substituted derivatives", "C-glycosyl compounds", "Catechols", "Chromones", "Dialkyl ethers", "Flavanones", "Hexoses", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Phenolic glycosides", "Polyols", "Primary alcohols", "Secondary alcohols", "Vinylogous acids"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Alcohol", "Alkyl aryl ether", "Aromatic heteropolycyclic compound", "Aryl alkyl ketone", "Aryl ketone", "Benzenoid", "Benzopyran", "C-glycosyl compound", "Catechol", "Chromane", "Chromone", "Dialkyl ether", "Ether", "Flavan", "Flavanone", "Flavonoid c-glycoside", "Glycosyl compound", "Hexose monosaccharide", "Hydrocarbon derivative", "Hydroxyflavonoid", "Ketone", "Monocyclic benzene moiety", "Monosaccharide", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Phenol", "Phenolic glycoside", "Polyol", "Primary alcohol", "Secondary alcohol", "Vinylogous acid"]
Spectra from Online Resources
No spectra information available
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-6-C-glucoside | Eriodictyol-glucuronide | human | urine (minor) | Not Available | Not Available | Not Available | Not Available | C21H20O12 | 464.3829549 | Publications | |||
Eriodictyol-6-C-glucoside | Eriodictyol sulfate | human | urine, urine (major) | host-gut microbiota co-metabolite | Not Available | Not Available | <1% | C15H12O9S | 368.3194001 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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