Phyto4Health

Flavonol

Representations & DB's id
ChEBI: CHEBI:5078
ChEMBL: CHEMBL294009
PubChem: 11349
IUPAC: 3-hydroxy-2-phenylchromen-4-one
Standard InChI: InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
Standard InChI Key: HVQAJTFOCKOKIN-UHFFFAOYSA-N
SMILES: O=c1c(O)c(oc2c1cccc2)c1ccccc1

Molecular propeties
AlogP: 3.17
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 1
Rotatable bonds: 1
Number of rings: 3
Molecular Weight: 238.06
Topological polar surface area: 46.5
Number of aromatic rings: 3
Fsp3: 0
Number of carbons: 15

Plant sources

Part of plant Plant name Ref.
PlantChelidonium majus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC50100000 nMFatty acid synthaseP49327
Others6.5 %Fatty acid synthaseP49327
IC5023500 nMAndrogen ReceptorP10275
Potency25118.9 nMPrelamin-A/CP02545
Potency25118.9 nMLysine-specific demethylase 4D-likeB2RXH2
Potency39810.7 nMMAP kinase ERK2P28482
Potency12589.3 nMCellular tumor antigen p53P04637
Potency15848.9 nMCellular tumor antigen p53P04637
Potency25118.9 nMCytochrome P450 3A4P08684
Potency25118.9 nMCytochrome P450 3A4P08684
IC5055200 nMCalmodulinP62158
Others0.36 CalmodulinP62158
Potency10000 nMArachidonate 15-lipoxygenase, type IIO15296
Others370 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others320 pm/min/mgUDP-glucuronosyltransferase 2A1Q9Y4X1
Others114 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others50 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others30 pm/min/mgUDP-glucuronosyltransferase 1-10Q9HAW8
Others35 pm/min/mgUDP-glucuronosyltransferase 1-10Q9HAW8
Others604 pm/min/mgUDP-glucuronosyltransferase 1-3P35503
Others0 pm/min/mgUDP-glucuronosyltransferase 1A4P22310
Others0 pm/min/mgUDP-glucuronosyltransferase 1-6P19224
Others57 pm/min/mgUDP-glucuronosyltransferase 1-7Q9HAW7
Others531 pm/min/mgUDP-glucuronosyltransferase 1-8Q9HAW9
Others600 pm/min/mgUDP-glucuronosyltransferase 1-9O60656
Others163 pm/min/mgUDP-glucuronosyltransferase 2A1Q9Y4X1
Others64 pm/min/mgUDP-glucuronosyltransferase 2B15P54855
Ki5210 nMCarbonic anhydrase IP00915
Ki5100 nMCarbonic anhydrase IP00915
Ki9300 nMCarbonic anhydrase IIP00918
Ki9200 nMCarbonic anhydrase IIP00918
Ki5540 nMCarbonic anhydrase IXQ16790
Ki5630 nMCarbonic anhydrase IXQ16790
Ki6590 nMCarbonic anhydrase XIIO43570
Ki6650 nMCarbonic anhydrase XIIO43570
Potency32642.7 nMGemininO75496
Potency730.8 nMGemininO75496
Potency15848.9 nMAtaxin-2Q99700
Potency7943.3 nMGlucagon-like peptide 1 receptorP43220