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

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

Taxonomy as Precursor

Family
Polyphenols
Class
Flavonoids
Sub-class
Isoflavones

Spectra

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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