Phyto4Health

Cirsimaritin

Representations & DB's id
ChEBI: CHEBI:81337
ChEMBL: CHEMBL348436
PubChem: 188323
IUPAC: 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one
Standard InChI: InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
Standard InChI Key: ZIIAJIWLQUVGHB-UHFFFAOYSA-N
SMILES: COc1cc2oc(cc(=O)c2c(c1OC)O)c1ccc(cc1)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.
PlantPrunus laurocerasus
PlantSalvia officinalis
PlantSalvia officinalis
PlantSalvia officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Ki1720 nMAdenosine A3 receptorP0DMS8
Potency39810.7 nMLysine-specific demethylase 4D-likeB2RXH2
Potency39810.7 nMMicrotubule-associated protein tauP10636
Potency89125.1 nMDNA polymerase betaP06746
Potency10000 nMBeta-glucocerebrosidaseP04062
Potency20587.8 nMATPase family AAA domain-containing protein 5Q96QE3
Potency70794.6 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8
Potency9196.2 nMATPase family AAA domain-containing protein 5Q96QE3
Potency10000 nMGlucagon-like peptide 1 receptorP43220
Potency2238.7 nMGuanine nucleotide-binding protein G(s), subunit alphaP63092