precursor

Showing entry for Afzelechin

Identification

PhytoHub ID
PHUB000270
Name
Afzelechin
Synonyms
  • 3,5,7,4'-tetrahydroxyflavan
CAS Number
Not Available
Average Mass
274.272
Monoisotopic Mass
274.084123551
Chemical Formula
C15H14O5
IUPAC Name
(3S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
InChI Key
RSYUFYQTACJFML-CFMCSPIPSA-N
InChI Identifier
InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15?/m0/s1
SMILES
O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C=C1
Structure
MOLSDFPDBSMILESInChI

Calculated Properties

Solubility (ALOGPS)
4.63e-01 g/l
LogS (ALOGPS)
-2.77
LogP (ALOGPS)
1.29
Hydrogen Acceptors
5
Hydrogen Donors
4
Rotatable Bond Count
1
Polar Surface Area
90.15
Refractivity
72.01880000000001
Polarizability
27.83095555881842
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.2843440587393635
pKa (strongest acidic)
9.14976039466817
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanols

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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