Homoeriodictyol
Showing entry for Homoeriodictyol
Identification
- PhytoHub ID
- PHUB001105
- Name
- Homoeriodictyol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 302.282
- Monoisotopic Mass
- 302.079038171
- Chemical Formula
- C16H14O6
- IUPAC Name
- 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
- InChI Key
- FTODBIPDTXRIGS-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3
- SMILES
COC1=C(O)C=CC(=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
- Structure
Structure for Homoeriodictyol
Calculated Properties
- Solubility (ALOGPS)
- 1.33e-01 g/l
- LogS (ALOGPS)
- -3.36
- LogP (ALOGPS)
- 2.53
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 2
- Polar Surface Area
- 96.22
- Refractivity
- 77.753
- Polarizability
- 30.17801483569005
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.620038760270414
- pKa (strongest acidic)
- 7.862897885955693
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Flavonoid metabolites
- Sub-class
- Flavanones (parent and host metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Eriocitrin | Polyphenols | Flavonoids | Flavanones | Show Food Phytochemical |
| Eriodictyol | Polyphenols | Flavonoids | Flavanones | Show Food Phytochemical |
| Hesperetin | Polyphenols | Flavonoids | Flavanones | Show Food Phytochemical |
| Orange flavanones | Polyphenols | Flavonoids | Flavanones | Show Food Phytochemical |
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Eriocitrin | Lemon | Fruit, Citrus | Publications | Show | |
| Hesperetin | Lemon | Fruit, Citrus | Show | ||
| Eriocitrin | Lime | Fruit, Citrus | Publications | Show | |
| Hesperetin | Lime | Fruit, Citrus | Show | ||
| Hesperetin | Orange juice | Beverages, Non-alcoholic | Show | ||
| Hesperetin | Sweet orange | Fruit, Citrus | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Eriocitrin | Homoeriodictyol | rat | urine | Not Available | Not Available | Not Available | Not Available | C16H14O6 | 302.079038171 | Publications | |||
| Eriodictyol | Homoeriodictyol | rat | urine | Not Available | Not Available | Not Available | Not Available | C16H14O6 | 302.079038171 | Publications | |||
| Hesperetin | Homoeriodictyol | rat | plasma (minor) | Not Available | Not Available | Not Available | Not Available | C16H14O6 | 302.079038171 | Publications | |||
| Orange flavanones | Homoeriodictyol | human | urine | host-gut microbiota co-metabolite | Not Available | Not Available | Not Available | C16H14O6 | 302.079038171 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|