Identification

PhytoHub ID
PHUB001595
Name
Naringenin-7-glucoside
Systematic Name
Not Available
Synonyms
  • Prunin
CAS Number
529-55-5
Average Mass
434.397
Monoisotopic Mass
434.121296908
Chemical Formula
C21H22O10
IUPAC Name
prunin
InChI Key
DLIKSSGEMUFQOK-OAFSPAPBNA-N
InChI Identifier
InChI=1/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/s2
SMILES
OC[[email protected]]1O[[email protected]@H](OC2=CC(O)=C3C(=O)C[[email protected]](OC3=C2)C2=CC=C(O)C=C2)[[email protected]](O)[[email protected]@H](O)[[email protected]@H]1O
Structure

Calculated Properties

Solubility (ALOGPS)
1.53e+00 g/l
LogS (ALOGPS)
-2.45
LogP (ALOGPS)
0.17
Hydrogen Acceptors
10
Hydrogen Donors
6
Rotatable Bond Count
4
Polar Surface Area
166.14
Refractivity
103.43419999999999
Polarizability
42.58633227977184
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9810923437586574
pKa (strongest acidic)
8.579384760542238
Number of Rings
4
Rule of Five
No
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Spectra

No spectra information available

Food Sources

NameGroup
TomatoVegetables, Fruit vegetables PublicationsShow

Metabolism

No metabolism information available

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