precursor

Showing entry for 6,8-Diprenylnaringenin

Identification

PhytoHub ID
PHUB000374
Name
6,8-Diprenylnaringenin
Systematic Name
Not Available
Synonyms
  • Lonchocarpol A
  • Senegalensein
CAS Number
Not Available
Average Mass
408.494
Monoisotopic Mass
408.193674002
Chemical Formula
C25H28O5
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key
HCNLDGTUMBOHKT-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3
SMILES
CC(C)=CCC1=C(O)C2=C(OC(CC2=O)C2=CC=C(O)C=C2)C(CC=C(C)C)=C1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
5.75e-03 g/l
LogS (ALOGPS)
-4.85
LogP (ALOGPS)
4.50
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
5
Polar Surface Area
86.99
Refractivity
119.7754
Polarizability
45.31907803086477
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.961077727446398
pKa (strongest acidic)
7.50827130496677
Number of Rings
3
Rule of Five
No
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Flavonoids
Super-class
Phenylpropanoids and polyketides
Sub-class
Flavans
Direct Parent Name
8-prenylated flavanones
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "6-prenylated flavanones", "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", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "6-prenylated flavan", "6-prenylated flavanone", "7-hydroxyflavonoid", "8-prenylated flavanone", "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 Online Resources

No spectra information available

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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