Showing entry for Homoeriodictyol
Identification
- PhytoHub ID
- PHUB001105
- Name
- Homoeriodictyol
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 302.2788
- Monoisotopic Mass
- 302.07903818
- Chemical Formula
- C16H14O6
- IUPAC Name
- 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-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=CC(=CC=C1O)C1CC(=O)C2=C(O1)C=C(O)C=C2O
- Structure
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
- 30.178517278278925
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.620038760270414
- pKa (strongest acidic)
- 7.862897701144629
Precursor Taxonomy
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Eriocitrin | Polyphenols | Flavonoids | Flavanones | Show Precursor |
Eriodictyol | Polyphenols | Flavonoids | Flavanones | Show Precursor |
Hesperetin | Polyphenols | Flavonoids | Flavanones | Show Precursor |
Spectra
No spectra information available
Food Sources
Precursor | 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 |
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Eriocitrin | Homoeriodictyol | rat | urine | C16H14O6 | 302.07903818 | Publications | ||
Eriodictyol | Homoeriodictyol | rat | urine | C16H14O6 | 302.07903818 | Publications | ||
Hesperetin | Homoeriodictyol | rat | plasma (minor) | C16H14O6 | 302.07903818 | Publications |