Nobiletin

Representations & DB's id
ChEBI:	CHEBI:7602
ChEMBL:	CHEMBL76447
PubChem:	72344
IUPAC:	2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
Standard InChI:	InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
Standard InChI Key:	MRIAQLRQZPPODS-UHFFFAOYSA-N
SMILES:	COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC

Molecular propeties
AlogP:	3.51
Hydrogen bonds acceptors:	8
Hydrogen bonds donors:	0
Rotatable bonds:	7
Number of rings:	3
Molecular Weight:	402.13
Topological polar surface area:	81.7
Number of aromatic rings:	3
Fsp3:	0.286
Number of carbons:	21

Plant sources

Activity Type	Activity Value	Target Name	UniProt ID
Potency	19952.6 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	31622.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	22387.2 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	25118.9 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	25118.9 nM	Microtubule-associated protein tau	P10636
Potency	28183.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	28183.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	31622.8 nM	MAP kinase ERK2	P28482
Potency	11220.2 nM	MAP kinase ERK2	P28482
Potency	28183.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	25118.9 nM	Cytochrome P450 3A4	P08684
Potency	25118.9 nM	Cytochrome P450 3A4	P08684
Potency	35481.3 nM	Histone acetyltransferase GCN5	Q92830
Potency	501.2 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	25929 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	14581 nM	Geminin	O75496
Potency	316.2 nM	Geminin	O75496
Potency	1778.3 nM	Glucagon-like peptide 1 receptor	P43220
Potency	10000 nM	Glucagon-like peptide 1 receptor	P43220