Phyto4Health

Pectolinarigenin

Representations & DB's id
ChEBI: CHEBI:81336
ChEMBL: CHEMBL78010
PubChem: 5320438
IUPAC: 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)chromen-4-one
Standard InChI: InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3
Standard InChI Key: GPQLHGCIAUEJQK-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)OC)O

Molecular propeties
AlogP: 2.89
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 2
Rotatable bonds: 3
Number of rings: 3
Molecular Weight: 314.08
Topological polar surface area: 85.2
Number of aromatic rings: 3
Fsp3: 0.118
Number of carbons: 17

Plant sources

Part of plant Plant name Ref.
PlantPimpinella saxifraga
PlantTanacetum vulgare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency3548.1 nMRas-related protein Rab-9AP51151
Potency11220.2 nMMicrotubule-associated protein tauP10636
Potency3162.3 nMNiemann-Pick C1 proteinO15118
Potency22387.2 nMDNA polymerase betaP06746
Potency1834.9 nMATPase family AAA domain-containing protein 5Q96QE3
Potency1834.9 nMATPase family AAA domain-containing protein 5Q96QE3
Potency17782.8 nMGlutaminase kidney isoform, mitochondrialO94925
Potency18356.4 nMGemininO75496
Potency15848.9 nMAtaxin-2Q99700
Potency3162.3 nMBreast cancer type 1 susceptibility proteinP38398
Others48 %Delta opioid receptorP41143
Others13.5 %Cannabinoid CB2 receptorP34972
Others19.3 %Cannabinoid CB1 receptorP21554
Ki8400 nMDelta opioid receptorP41143
Others20.1 %Mu opioid receptorP35372
Others79.9 %Delta opioid receptorP41143
Others3 %Stem cell growth factor receptorP10721
Others0 %Stem cell growth factor receptorP10721
IC50600 nMStem cell growth factor receptorP10721
IC501500 nMStem cell growth factor receptorP10721