Identification

PhytoHub ID
PHUB000647
Name
3,7-Dimethylquercetin
Synonyms
  • 5,3',4'-Trihydroxy-3,7-dimethoxyflavone
CAS Number
Not Available
Average Mass
330.2889
Monoisotopic Mass
330.073952802
Chemical Formula
C17H14O7
IUPAC Name
DTHF
InChI Key
LUJAXSNNYBCFEE-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
SMILES
COC1=CC2=C(C(O)=C1)C(=O)C(OC)=C(O2)C1=CC(O)=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
6.33e-02 g/l
LogS (ALOGPS)
-3.72
LogP (ALOGPS)
3.00
Hydrogen Acceptors
7
Hydrogen Donors
3
Rotatable Bond Count
3
Polar Surface Area
105.45000000000002
Refractivity
86.09570000000002
Polarizability
32.496460919082196
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.567943663018915
pKa (strongest acidic)
8.144635514294771
FreewebChemaxon powered

Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavonols

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

Back