Licoisoflavone A
precursor
Showing entry for Licoisoflavone A
Identification
- PhytoHub ID
- PHUB000229
- Name
- Licoisoflavone A
- Systematic Name
- Not Available
- Synonyms
- Phaseoluteone
- CAS Number
- Not Available
- Average Mass
- 354.358
- Monoisotopic Mass
- 354.1103383
- Chemical Formula
- C20H18O6
- IUPAC Name
- licoisoflavone A
- InChI Key
- KCUZCRLRQVRBBV-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
- SMILES
CC(C)=CCC1=C(O)C(=CC=C1O)C1=COC2=C(C(O)=CC(O)=C2)C1=O
- Structure
Structure for Licoisoflavone A
Calculated Properties
- Solubility (ALOGPS)
- 1.93e-02 g/l
- LogS (ALOGPS)
- -4.26
- LogP (ALOGPS)
- 3.29
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 3
- Polar Surface Area
- 107.22000000000001
- Refractivity
- 97.9066
- Polarizability
- 36.43910245626071
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -5.347046407487893
- pKa (strongest acidic)
- 6.535585812393612
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 28620
- PubChem
- 5281789
- Chemistry Dashboard
- DTXSID10216256
- KNApSAcK
- C00002542
- MetaboLights
- MTBLC28620
- FooDB (Compounds)
- FDB012398
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