3-O-Methylquercetin

Representations & DB's id
ChEBI:	CHEBI:16860
ChEMBL:	CHEMBL163316
PubChem:	5280681
IUPAC:	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one
Standard InChI:	InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3
Standard InChI Key:	WEPBGSIAWZTEJR-UHFFFAOYSA-N
SMILES:	COc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(c(c1)O)O

Molecular propeties
AlogP:	2.29
Hydrogen bonds acceptors:	7
Hydrogen bonds donors:	4
Rotatable bonds:	2
Number of rings:	3
Molecular Weight:	316.06
Topological polar surface area:	116
Number of aromatic rings:	3
Fsp3:	0.062
Number of carbons:	16

Plant sources

Part of plant	Plant name	Ref.
Herba	Polygonum aviculare
Plant	Beta vulgaris

Activity Type	Activity Value	Target Name	UniProt ID
Potency	17782.8 nM	ATP-dependent DNA helicase Q1	P46063
Potency	19952.6 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	14125.4 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	3548.1 nM	Huntingtin	P42858
Potency	10000 nM	DNA-(apurinic or apyrimidinic site) lyase	P27695
Potency	14125.4 nM	Microtubule-associated protein tau	P10636
Potency	22387.2 nM	Microtubule-associated protein tau	P10636
Potency	10000 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	11220.2 nM	Bloom syndrome protein	P54132
Potency	35481.3 nM	Lysosomal alpha-glucosidase	P10253
Potency	4466.8 nM	DNA polymerase beta	P06746
Potency	56234.1 nM	Lysine-specific demethylase 4A	O75164
Potency	35481.3 nM	Beta-2 adrenergic receptor	P07550
Potency	25918.5 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	35481.3 nM	Bromodomain adjacent to zinc finger domain protein 2B	Q9UIF8
Potency	18348.9 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	14044.1 nM	DNA dC->dU-editing enzyme APOBEC-3F	Q8IUX4
IC50	30340 nM	Rac GTPase-activating protein 1	Q9H0H5
Potency	35481.3 nM	Glutaminase kidney isoform, mitochondrial	O94925
Potency	12516.8 nM	DNA dC->dU-editing enzyme APOBEC-3F	Q8IUX4
Potency	16360.1 nM	Geminin	O75496
Potency	44668.4 nM	Ataxin-2	Q99700
Potency	31622.8 nM	Werner syndrome ATP-dependent helicase	Q14191
Potency	35481.3 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	7897.6 nM	DNA dC->dU-editing enzyme APOBEC-3G	Q9HC16