Formononetin 7-O-glucuronide
Showing entry for Formononetin 7-O-glucuronide
Identification
- PhytoHub ID
- PHUB001362
- Name
- Formononetin 7-O-glucuronide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 460.435
- Monoisotopic Mass
- 460.136946973
- Chemical Formula
- C23H24O10
- IUPAC Name
- (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-5-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}cyclohexane-1-carboxylic acid
- InChI Key
- UVZMCLOUNSXDMB-DKQOYVOWNA-N
- InChI Identifier
InChI=1/C23H24O10/c1-31-11-4-2-10(3-5-11)14-9-32-16-7-12(6-15(24)18(16)19(14)25)33-17-8-13(23(29)30)20(26)22(28)21(17)27/h2-7,13-14,17,20-22,24,26-28H,8-9H2,1H3,(H,29,30)/t13-,14?,17+,20+,21-,22-/s2
- SMILES
COC1=CC=C(C=C1)C1COC2=C(C(O)=CC(O[[email protected]@H]3C[[email protected]@H]([[email protected]@H](O)[[email protected]](O)[[email protected]]3O)C(O)=O)=C2)C1=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 10
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 5
- Polar Surface Area
- 162.98000000000002
- Refractivity
- 111.82569999999996
- Polarizability
- 45.01095640515942
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.4047079318449254
- pKa (strongest acidic)
- 3.28834949405412
- Number of Rings
- 4
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Isoflavones
Taxonomy of its Precursor(s)
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Formononetin | Polyphenols | Flavonoids | Isoflavones | Show Precursor |
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Precursor(s)
No food source information available of its precursor(s)
Metabolism
Precursor | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Formononetin | Formononetin 7-O-glucuronide | human | urine | host metabolism | Not Available | Not Available | Not Available | C23H24O10 | 460.136946973 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available