Phyto4Health

4-Hydroxycoumarins

Representations & DB's id
ChEBI: CHEBI:40070
ChEMBL: CHEMBL301141
PubChem: 54682930
IUPAC: 4-hydroxychromen-2-one
Standard InChI: InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
Standard InChI Key: VXIXUWQIVKSKSA-UHFFFAOYSA-N
SMILES: O=c1cc(O)c2c(o1)cccc2

Molecular propeties
AlogP: 1.5
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 1
Rotatable bonds: 0
Number of rings: 2
Molecular Weight: 162.03
Topological polar surface area: 46.5
Number of aromatic rings: 2
Fsp3: 0
Number of carbons: 9

Plant sources

Part of plant Plant name Ref.
PlantRuta graveolens

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC50400000 nMAldose reductaseP15121
Others0 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others4 pm/min/mgUDP-glucuronosyltransferase 1-10Q9HAW8
Others0 pm/min/mgUDP-glucuronosyltransferase 1-10Q9HAW8
Others0 pm/min/mgUDP-glucuronosyltransferase 1-3P35503
Others0 pm/min/mgUDP-glucuronosyltransferase 1A4P22310
Others4 pm/min/mgUDP-glucuronosyltransferase 1-7Q9HAW7
Others230 pm/min/mgUDP-glucuronosyltransferase 1-8Q9HAW9
Others8.3 pm/min/mgUDP-glucuronosyltransferase 2A1Q9Y4X1
Others0 pm/min/mgUDP-glucuronosyltransferase 2B15P54855
Others0.84 Nuclear factor erythroid 2-related factor 2Q16236
Ki95000 nMCarbonic anhydrase IP00915
Ki100000 nMCarbonic anhydrase IIP00918
Ki410 nMCarbonic anhydrase IXQ16790
Ki6300 nMCarbonic anhydrase XIIO43570