6-Prenylnaringenin
precursor
Showing entry for 6-Prenylnaringenin
Identification
- PhytoHub ID
- PHUB000372
- Name
- 6-Prenylnaringenin
- Systematic Name
- Not Available
- Synonyms
- 5,7,4'-Trihydroxy-6-prenylflavanone
- CAS Number
- 68236-13-5
- Average Mass
- 340.375
- Monoisotopic Mass
- 340.131073744
- Chemical Formula
- C20H20O5
- IUPAC Name
- 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
- InChI Key
- YHWNASRGLKJRJJ-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
- SMILES
CC(C)=CCC1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C=C1
- Structure
Structure for 6-Prenylnaringenin
Calculated Properties
- Solubility (ALOGPS)
- 1.53e-02 g/l
- LogS (ALOGPS)
- -4.35
- LogP (ALOGPS)
- 3.17
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 3
- Polar Surface Area
- 86.99000000000001
- Refractivity
- 95.5326
- Polarizability
- 36.49488002721719
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.950586506821382
- pKa (strongest acidic)
- 7.674426236151494
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Miscellaneous flavonoids
Taxonomy as Metabolite
- Metabolite Family
- (Poly)phenol metabolites
- Metabolite Class
- Flavonoid metabolites
- Metabolite Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Xanthohumol | Polyphenols | Miscellaneous polyphenols | Not Available | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Flavans
- Direct Parent Name
- 6-prenylated flavanones
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Aryl alkyl ketones", "Benzene and substituted derivatives", "Chromones", "Flavanones", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Vinylogous acids"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "6-prenylated flavanone", "7-hydroxyflavonoid", "Alkyl aryl ether", "Aromatic heteropolycyclic compound", "Aryl alkyl ketone", "Aryl ketone", "Benzenoid", "Benzopyran", "Chromane", "Chromone", "Ether", "Flavanone", "Hydrocarbon derivative", "Hydroxyflavonoid", "Ketone", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Vinylogous acid"]
Spectra from Phytohub
Food Sources
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found