Purpurin

Representations & DB's id
ChEBI:	CHEBI:8645
ChEMBL:	CHEMBL294264
PubChem:	6683
IUPAC:	1,2,4-trihydroxyanthracene-9,10-dione
Standard InChI:	InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
Standard InChI Key:	BBNQQADTFFCFGB-UHFFFAOYSA-N
SMILES:	Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O

Molecular propeties
AlogP:	1.58
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	3
Rotatable bonds:	0
Number of rings:	3
Molecular Weight:	256.04
Topological polar surface area:	94.8
Number of aromatic rings:	2
Fsp3:	0.071
Number of carbons:	14

Plant sources

Part of plant	Plant name	Ref.
Plant	Rubia tinctorum
Rhizoma	Rheum palmatum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Potency	6309.6 nM	ATP-dependent DNA helicase Q1	P46063
Potency	3981.1 nM	ATP-dependent DNA helicase Q1	P46063
Potency	3162.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	7943.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	15848.9 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	22387.2 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	316.2 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	5011.9 nM	Microtubule-associated protein tau	P10636
Potency	5011.9 nM	Microtubule-associated protein tau	P10636
Potency	7079.5 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	25118.9 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	5011.9 nM	Arachidonate 15-lipoxygenase	P16050
Potency	6309.6 nM	Arachidonate 15-lipoxygenase	P16050
Potency	28183.8 nM	Microtubule-associated protein tau	P10636
Potency	22387.2 nM	Microtubule-associated protein tau	P10636
Potency	39810.7 nM	Breast cancer type 1 susceptibility protein	P38398
Potency	39810.7 nM	Breast cancer type 1 susceptibility protein	P38398
Potency	12589.3 nM	MAP kinase ERK2	P28482
Potency	3548.1 nM	Arachidonate 12-lipoxygenase	P18054
Potency	31622.8 nM	MAP kinase ERK2	P28482
Potency	31622.8 nM	Lethal(3)malignant brain tumor-like protein 1	Q9Y468
Potency	19952.6 nM	MAP kinase ERK2	P28482
Potency	25118.9 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	28183.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	25118.9 nM	Cytochrome P450 3A4	P08684
Potency	39810.7 nM	Cytochrome P450 3A4	P08684
Potency	25118.9 nM	Cytochrome P450 3A4	P08684
Potency	39810.7 nM	Cytochrome P450 3A4	P08684
Potency	22387.2 nM	Lysine-specific demethylase 4A	O75164
Potency	31622.8 nM	Histone acetyltransferase GCN5	Q92830
Potency	7943.3 nM	Histone acetyltransferase GCN5	Q92830
Potency	26854.5 nM	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Q13526
Potency	17782.8 nM	Glutaminase kidney isoform, mitochondrial	O94925
Potency	39810.7 nM	Ataxin-2	Q99700
Potency	50118.7 nM	Werner syndrome ATP-dependent helicase	Q14191
Potency	6012 nM	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Q13526
Potency	11220.2 nM	Transcriptional regulator ERG	P11308

Purpurin

Representations & DB's id

Molecular propeties

Plant sources

In vitro data