Identification

PhytoHub ID
PHUB001878
Name
Cerasinone
Synonyms
  • 7-Hydroxy-2',4',5-trimethoxyflavanone
CAS Number
64166-14-9
Average Mass
330.3319
Monoisotopic Mass
330.110338308
Chemical Formula
C18H18O6
IUPAC Name
cerasinone
InChI Key
JVUGHKAZGNYYCA-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C18H18O6/c1-21-11-4-5-12(14(8-11)22-2)15-9-13(20)18-16(23-3)6-10(19)7-17(18)24-15/h4-8,15,19H,9H2,1-3H3
SMILES
COC1=CC(OC)=C(C=C1)C1CC(=O)C2=C(OC)C=C(O)C=C2O1
Structure

Calculated Properties

Solubility (ALOGPS)
4.78e-02 g/l
LogS (ALOGPS)
-3.84
LogP (ALOGPS)
1.60
Hydrogen Acceptors
6
Hydrogen Donors
1
Rotatable Bond Count
4
Polar Surface Area
74.22000000000001
Refractivity
86.71759999999999
Polarizability
34.33813646575076
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.280543350878845
pKa (strongest acidic)
7.857101412333729
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Spectra

No spectra information available

Food Sources

NameGroup
Tart cherryFruit, Drupes PublicationsShow

Metabolism

No metabolism information available

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