Phyto4Health

Coumestrol

Representations & DB's id

ChEBI: CHEBI:3908
ChEMBL: CHEMBL30707
PubChem: 5281707
IUPAC: 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
Standard InChI: InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
Standard InChI Key: ZZIALNLLNHEQPJ-UHFFFAOYSA-N
SMILES: Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O

Molecular propeties

AlogP: 3.1
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 2
Rotatable bonds: 0
Number of rings: 4
Molecular Weight: 268.04
Topological polar surface area: 79.9
Number of aromatic rings: 4
Fsp3: 0
Number of carbons: 15

Plant sources

Part of plant Plant name Ref.
PlantTaraxacum officinale
PlantTaraxacum officinale
PlantTaraxacum officinale

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC5075.7 nMEstrogen receptor alphaP03372
IC5075.7 nMEstrogen receptor alphaP03372
IC5018.6 nMEstrogen receptor betaQ92731
IC5018.6 nMEstrogen receptor betaQ92731
Others5.5 %3-keto-steroid reductaseP56937
Others2.3 %3-keto-steroid reductaseP56937
Potency14125.4 nMPrelamin-A/CP02545
Potency100000 nMThyroid hormone receptor beta-1P10828
Potency31622.8 nMATP-dependent DNA helicase Q1P46063
Potency22387.2 nMATP-dependent DNA helicase Q1P46063
Potency10000 nMLysine-specific demethylase 4D-likeB2RXH2
Potency56234.1 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency50118.7 nMThyroid hormone receptor beta-1P10828
Potency14125.4 nMMicrotubule-associated protein tauP10636
Potency10000 nMHypoxia-inducible factor 1 alphaQ16665
Potency25118.9 nMAldehyde dehydrogenase 1A1P00352
Potency35481.3 nMLysosomal alpha-glucosidaseP10253
Potency10000 nMHypoxia-inducible factor 1 alphaQ16665
Potency28183.8 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency31622.8 nMAlpha-galactosidase AP06280
Potency28183.8 nMBloom syndrome proteinP54132
Potency31622.8 nMLysosomal alpha-glucosidaseP10253
Potency35481.3 nMDNA polymerase betaP06746
Potency31622.8 nMLysosomal alpha-glucosidaseP10253
Potency32642.7 nMATPase family AAA domain-containing protein 5Q96QE3
Potency39810.7 nMNuclear factor NF-kappa-B p105 subunitP19838
Potency16360.1 nMGemininO75496
Potency50118.7 nMAryl hydrocarbon receptorP35869
Potency54482.7 nMNuclear factor erythroid 2-related factor 2Q16236
IC5032340 nMRac GTPase-activating protein 1Q9H0H5
IC5066600 nMSmall ubiquitin-related modifier 1P63165
Potency7943.3 nMGlutaminase kidney isoform, mitochondrialO94925
Potency79432.8 nMWerner syndrome ATP-dependent helicaseQ14191
IC5014700 nMSmall ubiquitin-related modifier 1P63165
Others-41.5 %Solute carrier organic anion transporter family member 2B1O94956
Others-21.1 %Solute carrier organic anion transporter family member 1B3Q9NPD5
Others73.2 %Solute carrier organic anion transporter family member 1B1Q9Y6L6
IC5012000 nMPregnane X receptorO75469