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
Similar Structures

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

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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