Phyto4Health

Hispidulin

Representations & DB's id
ChEBI: CHEBI:75902
ChEMBL: CHEMBL293776
PubChem: 5281628
IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one
Standard InChI: InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
Standard InChI Key: IHFBPDAQLQOCBX-UHFFFAOYSA-N
SMILES: COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)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.
PlantPapaver somniferum
PlantPapaver somniferum
PlantDigitalis ferruginea
PlantDigitalis ferruginea
PlantGlycyrrhiza uralensis
PlantGlycyrrhiza uralensis
LeafSalvia officinalis
LeafSalvia officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency3162.3 nMRas-related protein Rab-9AP51151
Potency22387.2 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency70794.6 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency19952.6 nMMicrotubule-associated protein tauP10636
Potency4466.8 nMNiemann-Pick C1 proteinO15118
Potency25118.9 nMSerine-protein kinase ATMQ13315
Potency89125.1 nMDNA polymerase betaP06746
Potency25118.9 nMBeta-glucocerebrosidaseP04062
Potency39810.7 nMCellular tumor antigen p53P04637
Potency9196.2 nMATPase family AAA domain-containing protein 5Q96QE3
Potency5802.4 nMATPase family AAA domain-containing protein 5Q96QE3
IC502710 nMSerine/threonine-protein kinase PIM1P11309