Glycitein
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
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
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
Glycitein