Sulfuretin

Representations & DB's id
ChEBI:	CHEBI:9355
ChEMBL:	CHEMBL490355
PubChem:	5281295
IUPAC:	(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
Standard InChI:	InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
Standard InChI Key:	RGNXWPVNPFAADO-NSIKDUERSA-N
SMILES:	Oc1ccc2c(c1)O/C(=Cc1ccc(c(c1)O)O)/C2=O

Molecular propeties
AlogP:	2.42
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	3
Rotatable bonds:	1
Number of rings:	3
Molecular Weight:	270.05
Topological polar surface area:	87
Number of aromatic rings:	2
Fsp3:	0
Number of carbons:	15

Plant sources

Part of plant	Plant name	Ref.
Plant	Cotinus coggygria

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Potency	25118.9 nM	ATP-dependent DNA helicase Q1	P46063
Potency	15848.9 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	89125.1 nM	Histone-lysine N-methyltransferase MLL	Q03164
Potency	15848.9 nM	DNA-(apurinic or apyrimidinic site) lyase	P27695
Potency	14125.4 nM	Microtubule-associated protein tau	P10636
IC50	1534.63 nM	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820
Potency	5623.4 nM	Niemann-Pick C1 protein	O15118
Potency	22387.2 nM	Lysosomal alpha-glucosidase	P10253
Potency	43620.6 nM	Relaxin receptor 2	Q8WXD0
Potency	48943.1 nM	Relaxin receptor 1	Q9HBX9
IC50	67200 nM	Alkaline phosphatase placental-like	P10696
Potency	14575 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	6309.6 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	56234.1 nM	Bromodomain adjacent to zinc finger domain protein 2B	Q9UIF8
Potency	43620.6 nM	Vasopressin V1b receptor	P47901
Potency	11577.4 nM	ATPase family AAA domain-containing protein 5	Q96QE3
IC50	52900 nM	Alkaline phosphatase, tissue-nonspecific isozyme	P05186
IC50	66300 nM	Intestinal alkaline phosphatase	P09923
AC50	2320 nM	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q63470
IC50	20560 nM	Rac GTPase-activating protein 1	Q9H0H5
Potency	8912.5 nM	Glutaminase kidney isoform, mitochondrial	O94925
Potency	2238.7 nM	Glucagon-like peptide 1 receptor	P43220
Potency	6309.6 nM	Breast cancer type 1 susceptibility protein	P38398
Potency	50118.7 nM	Werner syndrome ATP-dependent helicase	Q14191
Potency	50118.7 nM	Guanine nucleotide-binding protein G(s), subunit alpha	P63092
Potency	35481.3 nM	Transcriptional regulator ERG	P11308
Others	99 %	Cytochrome P450 19A1	P11511

Sulfuretin

Representations & DB's id

Molecular propeties

Plant sources

In vitro data