Juglone

Representations & DB's id
ChEBI:	CHEBI:15794
ChEMBL:	CHEMBL43612
PubChem:	3806
IUPAC:	5-hydroxynaphthalene-1,4-dione
Standard InChI:	InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
Standard InChI Key:	KQPYUDDGWXQXHS-UHFFFAOYSA-N
SMILES:	O=C1C=CC(=O)c2c1c(O)ccc2

Molecular propeties
AlogP:	1.33
Hydrogen bonds acceptors:	3
Hydrogen bonds donors:	1
Rotatable bonds:	0
Number of rings:	2
Molecular Weight:	174.03
Topological polar surface area:	54.4
Number of aromatic rings:	1
Fsp3:	0
Number of carbons:	10

Plant sources

Part of plant	Plant name	Ref.
Leaf	Juglans regia
Testa	Juglans regia
Seed	Juglans regia
Leaf	Juglans regia
Testa	Juglans regia
Seed	Juglans regia
Leaf	Juglans regia
Testa	Juglans regia
Seed	Juglans regia
Plant	Foeniculum vulgare
Plant	Foeniculum vulgare

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
IC50	1000 nM	Indoleamine 2,3-dioxygenase	P14902
IC50	1980 nM	Dual specificity phosphatase Cdc25B	P30305
Potency	39810.7 nM	Thyroid hormone receptor beta-1	P10828
Potency	50118.7 nM	Thyroid hormone receptor beta-1	P10828
Potency	4466.8 nM	ATP-dependent DNA helicase Q1	P46063
Potency	794.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	1778.3 nM	ATP-dependent DNA helicase Q1	P46063
Potency	7079.5 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	10000 nM	DNA-(apurinic or apyrimidinic site) lyase	P27695
Potency	1000 nM	Caspase-7	P55210
Potency	354.8 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	8912.5 nM	Thyroid hormone receptor beta-1	P10828
Potency	10000 nM	Thyroid hormone receptor beta-1	P10828
Potency	11220.2 nM	Microtubule-associated protein tau	P10636
Potency	12589.3 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	1995.3 nM	Arachidonate 15-lipoxygenase	P16050
Potency	14125.4 nM	Microtubule-associated protein tau	P10636
Potency	3162.3 nM	Breast cancer type 1 susceptibility protein	P38398
Potency	6309.6 nM	MAP kinase ERK2	P28482
Potency	12589.3 nM	Ubiquitin carboxyl-terminal hydrolase 2	O75604
Potency	14125.4 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	19952.6 nM	Caspase-1	P29466
Potency	10000 nM	Cellular tumor antigen p53	P04637
Potency	10000 nM	Cellular tumor antigen p53	P04637
Potency	5623.4 nM	Bloom syndrome protein	P54132
Potency	3162.3 nM	Bloom syndrome protein	P54132
Potency	39810.7 nM	Cytochrome P450 3A4	P08684
Potency	39810.7 nM	Cytochrome P450 3A4	P08684
Potency	7943.3 nM	ATP-dependent DNA helicase Q1	P46063
Potency	2238.7 nM	Histone acetyltransferase GCN5	Q92830
Potency	631 nM	Histone acetyltransferase GCN5	Q92830
Potency	3162.3 nM	Arachidonate 15-lipoxygenase, type II	O15296
Others	76.4 %	Signal transducer and activator of transcription 3	P40763
IC50	10120 nM	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Q13526

Juglone

Representations & DB's id

Molecular propeties

Plant sources

In vitro data