Homovanillic Acid

Representations & DB's id
ChEBI:	CHEBI:545959
ChEMBL:	CHEMBL1562
PubChem:	1738
IUPAC:	2-(4-hydroxy-3-methoxyphenyl)acetic acid
Standard InChI:	InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
Standard InChI Key:	QRMZSPFSDQBLIX-UHFFFAOYSA-N
SMILES:	COc1cc(ccc1O)CC(=O)O

Molecular propeties
AlogP:	1.03
Hydrogen bonds acceptors:	3
Hydrogen bonds donors:	2
Rotatable bonds:	3
Number of rings:	1
Molecular Weight:	182.06
Topological polar surface area:	66.8
Number of aromatic rings:	1
Fsp3:	0.222
Number of carbons:	9

Plant sources

Part of plant	Plant name	Ref.
Plant	Thymus vulgaris

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Potency	3.5 nM	Nuclear factor NF-kappa-B p105 subunit	P19838
Potency	3162.3 nM	Thyroid stimulating hormone receptor	P16473
Potency	8.9 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	25118.9 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	3.5 nM	Nuclear factor NF-kappa-B p105 subunit	P19838
Potency	25118.9 nM	Lysosomal alpha-glucosidase	P10253
Potency	79432.8 nM	M-phase phosphoprotein 8	Q99549
Potency	8912.5 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	3548.1 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	6 nM	Chromobox protein homolog 1	P83916
Potency	46.1 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-6	P19224
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-9	O60656