Phyto4Health

Chrysoeriol

Representations & DB's id
ChEBI: CHEBI:16514
ChEMBL: CHEMBL214321
PubChem: 5280666
IUPAC: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Standard InChI: InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
Standard InChI Key: SCZVLDHREVKTSH-UHFFFAOYSA-N
SMILES: COc1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)O

Molecular propeties
AlogP: 2.59
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 3
Rotatable bonds: 2
Number of rings: 3
Molecular Weight: 300.06
Topological polar surface area: 96.2
Number of aromatic rings: 3
Fsp3: 0.062
Number of carbons: 16

Plant sources

Part of plant Plant name Ref.
PlantArachis hypogaea
PlantVinca minor
PlantGlycyrrhiza glabra
PlantGlycyrrhiza uralensis
PlantGlycyrrhiza uralensis
PlantGlycyrrhiza echinata

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others1.3 Peroxisome proliferator-activated receptor gammaP37231
Others2.2 Peroxisome proliferator-activated receptor gammaP37231
Others1.1 Peroxisome proliferator-activated receptor alphaQ07869
Others1.3 Peroxisome proliferator-activated receptor alphaQ07869
IC501118 nMCytochrome P450 1A2P05177
IC5095 nMCytochrome P450 1A1P04798
IC5020 nMCytochrome P450 1B1Q16678
Potency17782.8 nMHistone-lysine N-methyltransferase MLLQ03164
Potency22387.2 nMMicrotubule-associated protein tauP10636
Potency25118.9 nMAldehyde dehydrogenase 1A1P00352
Potency39810.7 nMDNA polymerase betaP06746
Potency16353.5 nMATPase family AAA domain-containing protein 5Q96QE3
Potency16353.5 nMATPase family AAA domain-containing protein 5Q96QE3
Potency5804.8 nMGemininO75496
Potency17782.8 nMBreast cancer type 1 susceptibility proteinP38398
Others6.5 Peroxisome proliferator-activated receptor deltaQ03181
Others3.9 Peroxisome proliferator-activated receptor deltaQ03181
Others50 %Arachidonate 5-lipoxygenaseP09917