precursor
Showing entry for Liquiritigenin
Identification
- PhytoHub ID
- PHUB000386
- Name
- Liquiritigenin
- Synonyms
- 7,4'-Dihydroxyflavanone
- CAS Number
- Not Available
- Average Mass
- 256.257
- Monoisotopic Mass
- 256.073558866
- Chemical Formula
- C15H12O4
- IUPAC Name
- 5-deoxyflavanone
- InChI Key
- FURUXTVZLHCCNA-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2
- SMILES
OC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.33e-01 g/l
- LogS (ALOGPS)
- -3.28
- LogP (ALOGPS)
- 2.79
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 66.76
- Refractivity
- 69.30890000000001
- Polarizability
- 26.413770498733985
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.939949525645975
- pKa (strongest acidic)
- 7.788865277012675
External Links
- PubChem
- 1889
- Chemistry Dashboard
- DTXSID90274339
Taxonomy
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavanones
Spectra
No spectra information available
Metabolism
No metabolism information available