Phyto4Health

3-[5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxochromen-8-Yl]-5,7-Dihydroxy-2-(4-Hydroxyphenyl)Chromen-4-One

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL515252
PubChem: 10414856
IUPAC: 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Standard InChI: InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H
Standard InChI Key: IQAMTZLKUHMPPE-UHFFFAOYSA-N
SMILES: Oc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(cc1)O

Molecular propeties

AlogP: 5.13
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 6
Rotatable bonds: 3
Number of rings: 6
Molecular Weight: 538.09
Topological polar surface area: 174
Number of aromatic rings: 6
Fsp3: 0
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantFagopyrum esculentum
PlantFagopyrum esculentum
PlantHypericum perforatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency12589.3 nMATP-dependent DNA helicase Q1P46063
Potency35481.3 nMLysine-specific demethylase 4D-likeB2RXH2
Potency1995.3 nMDNA-(apurinic or apyrimidinic site) lyaseP27695
Potency15848.9 nMMicrotubule-associated protein tauP10636
Potency7943.3 nMPyruvate kinase isozymes M1/M2P14618
Potency7079.5 nMMicrotubule-associated protein tauP10636
IC502725.54 nMInduced myeloid leukemia cell differentiation protein Mcl-1Q07820
Potency7943.3 nMPyruvate kinase isozymes M1/M2P14618
Potency12589.3 nMBloom syndrome proteinP54132
Potency3162.3 nMDNA polymerase betaP06746
Potency17782.8 nMBeta-glucocerebrosidaseP04062
Potency50118.7 nMLysine-specific demethylase 4AO75164
Potency28183.8 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8
Potency18356.4 nMGemininO75496
IC5066600 nMSmall ubiquitin-related modifier 1P63165
Potency259.3 nMGemininO75496
Potency56234.1 nMWerner syndrome ATP-dependent helicaseQ14191
IC509200 nMSmall ubiquitin-related modifier 1P63165
IC504500 nMProtein-tyrosine phosphatase 1BP18031
Ki4600 nMProtein-tyrosine phosphatase 1BP18031