precursor

Showing entry for Glycitein

Identification

PhytoHub ID
PHUB000227
Name
Glycitein
Synonyms
  • 7,4'-Dihydroxy-6-methoxyisoflavone
  • Glycitein
CAS Number
Not Available
Average Mass
284.267
Monoisotopic Mass
284.068473486
Chemical Formula
C16H12O5
IUPAC Name
glycitein
InChI Key
DXYUAIFZCFRPTH-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
SMILES
COC1=C(O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
5.56e-02 g/l
LogS (ALOGPS)
-3.71
LogP (ALOGPS)
3.35
Hydrogen Acceptors
5
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
75.99000000000001
Refractivity
76.1652
Polarizability
28.808298653213832
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.75168191145487
pKa (strongest acidic)
6.919338975199671
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Isoflavones

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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