Identification

PhytoHub ID
PHUB000230
Name
Prunetin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
284.267
Monoisotopic Mass
284.068473486
Chemical Formula
C16H12O5
IUPAC Name
prunetin
InChI Key
KQMVAGISDHMXJJ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
SMILES
COC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
5.86e-02 g/l
LogS (ALOGPS)
-3.69
LogP (ALOGPS)
3.36
Hydrogen Acceptors
5
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
75.99000000000001
Refractivity
76.1652
Polarizability
28.70535120292798
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.737551646594349
pKa (strongest acidic)
7.323399360483996
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Isoflavones

Spectra

No spectra information available

Food Sources

NameGroup
LiquoriceConfectioneries and desserts PublicationsShow
Red cloverPulses and beans PublicationsShow
Tart cherryFruit, Drupes PublicationsShow

Metabolism

No metabolism information available

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