Naphthalene-1,4,5-Triol

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL1331245
PubChem:	3083585
IUPAC:	naphthalene-1,4,5-triol
Standard InChI:	InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,11-13H
Standard InChI Key:	NHEVNUARLCWEED-UHFFFAOYSA-N
SMILES:	Oc1ccc(c2c1cccc2O)O

Molecular propeties
AlogP:	1.96
Hydrogen bonds acceptors:	3
Hydrogen bonds donors:	3
Rotatable bonds:	0
Number of rings:	2
Molecular Weight:	176.05
Topological polar surface area:	60.7
Number of aromatic rings:	2
Fsp3:	0
Number of carbons:	10

Plant sources

Part of plant	Plant name	Ref.
Plant	Juglans regia

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Potency	4970 nM	Microtubule-associated protein tau	P10636
Potency	3981.1 nM	ATP-dependent DNA helicase Q1	P46063
Potency	12589.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	15254.6 nM	Alpha-synuclein	P37840
Potency	7943.3 nM	Thyroid stimulating hormone receptor	P16473
Potency	562.3 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	28183.8 nM	Thyroid hormone receptor beta-1	P10828
Potency	158.5 nM	Arachidonate 15-lipoxygenase	P16050
Potency	7943.3 nM	Thyroid stimulating hormone receptor	P16473
Potency	7943.3 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	1258.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	31622.8 nM	Caspase-1	P29466
Potency	4520 nM	Beta amyloid A4 protein	P05067
Potency	12589.3 nM	Arachidonate 15-lipoxygenase, type II	O15296
Potency	50118.7 nM	Nuclear factor NF-kappa-B p105 subunit	P19838
Potency	39810.7 nM	Aryl hydrocarbon receptor	P35869
Potency	42163.2 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	74978 nM	Interleukin-8	P10145
Potency	66824.2 nM	Nuclear receptor ROR-gamma	P51449