Phyto4Health

5-Hydroxy-2-(2-Phenylethyl)Chromen-4-One

Representations & DB's id
ChEBI: None
ChEMBL: CHEMBL479683
PubChem: 11536299
IUPAC: 5-hydroxy-2-(2-phenylethyl)chromen-4-one
Standard InChI: InChI=1S/C17H14O3/c18-14-7-4-8-16-17(14)15(19)11-13(20-16)10-9-12-5-2-1-3-6-12/h1-8,11,18H,9-10H2
Standard InChI Key: OLLHYYCQHNBTQC-UHFFFAOYSA-N
SMILES: Oc1cccc2c1c(=O)cc(o2)CCc1ccccc1

Molecular propeties
AlogP: 3.28
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 1
Rotatable bonds: 3
Number of rings: 3
Molecular Weight: 266.09
Topological polar surface area: 46.5
Number of aromatic rings: 3
Fsp3: 0.118
Number of carbons: 17

Plant sources

Part of plant Plant name Ref.
PlantSanguisorba officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency89125.1 nMLysine-specific demethylase 4AO75164
Potency35481.3 nMNuclear factor erythroid 2-related factor 2Q16236
IC508912.51 nMSerotonin 2b (5-HT2b) receptorP41595
Others6.9 %Serotonin 2b (5-HT2b) receptorP41595
Others0.6 %Serotonin 2b (5-HT2b) receptorP41595
Ki2511.89 nMSerotonin 3a (5-HT3a) receptorP46098
Ki2454.71 nMSerotonin 2b (5-HT2b) receptorP41595
Ki10000 nMSerotonin 1e (5-HT1e) receptorP28566
Others2.8 %Translocator proteinP30536
Others19.3 %Muscarinic acetylcholine receptor M5P08912
Others1.8 %Muscarinic acetylcholine receptor M2P08172
Others34.6 %Norepinephrine transporterP23975
Others1.4 %Beta-2 adrenergic receptorP07550
Others32.7 %Alpha-2c adrenergic receptorP18825
Others22.2 %Alpha-2a adrenergic receptorP08913
Others2.1 %Alpha-1d adrenergic receptorP25100
Others2.9 %Alpha-1b adrenergic receptorP35368
Others16.9 %Alpha-1a adrenergic receptorP35348
Others15.9 %Histamine H3 receptorQ9Y5N1
Others13 %Histamine H1 receptorP35367
Others0.4 %Dopamine D5 receptorP21918
Others24.7 %Dopamine D1 receptorP21728
Others28.9 %Serotonin transporterP31645
Others35.9 %Serotonin 7 (5-HT7) receptorP34969
Others5.8 %Serotonin 6 (5-HT6) receptorP50406
Others61.7 %Serotonin 3a (5-HT3a) receptorP46098
Others4.8 %Serotonin 2c (5-HT2c) receptorP28335
Others62.6 %Serotonin 2b (5-HT2b) receptorP41595
Others14.2 %Serotonin 2a (5-HT2a) receptorP28223
Others55.1 %Serotonin 1e (5-HT1e) receptorP28566
Others4.3 %Serotonin 1d (5-HT1d) receptorP28221
Others3.7 %Serotonin 1b (5-HT1b) receptorP28222
Others5.4 %Serotonin 1a (5-HT1a) receptorP08908
Others4.8 %Serotonin 2c (5-HT2c) receptorP28335
Others62.6 %Serotonin 2b (5-HT2b) receptorP41595
Others14.2 %Serotonin 2a (5-HT2a) receptorP28223
Others6.9 %Serotonin 2b (5-HT2b) receptorP41595