precursor
Showing entry for 8-Prenylnaringenin
Identification
- PhytoHub ID
- PHUB000373
- Name
- 8-Prenylnaringenin
- Synonyms
- 5,7,4'-Trihydroxy-8-prenylflavanone
- Isobavachin
- CAS Number
- Not Available
- Average Mass
- 340.375
- Monoisotopic Mass
- 340.131073744
- Chemical Formula
- C20H20O5
- IUPAC Name
- Not Available
- InChI Key
- LPEPZZAVFJPLNZ-SFHVURJKSA-N
- InChI Identifier
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
- SMILES
CC(C)=CCC1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 3
- Polar Surface Area
- 86.99000000000001
- Refractivity
- 95.53260000000002
- Polarizability
- 35.073102711338265
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.960717116113241
- pKa (strongest acidic)
- 7.690620053050339
External Links
- PubChem
- 509245
- Chemistry Dashboard
- DTXSID00333502
- Phenol-Explorer
- 221
- FooDB (Compounds)
- FDB012291
Taxonomy
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Miscellaneous flavonoids
Spectra
No spectra information available
Food Sources
Precursor | Food Source | Food Source Group | |||
---|---|---|---|---|---|
Xanthohumol | Beer | Beverages, Alcoholic | Publications | Show | |
Isoxanthohumol | Beer | Beverages, Alcoholic | Publications | Show |
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Xanthohumol | 8-Prenylnaringenin | human | plasma | C20H20O5 | 340.131073744 | Publications | ||
Isoxanthohumol | 8-Prenylnaringenin | rat | plasma, urine | C20H20O5 | 340.131073744 | Publications |