Chrysophanol

Representations & DB's id
ChEBI:	CHEBI:3687
ChEMBL:	CHEMBL41092
PubChem:	10208
IUPAC:	1,8-dihydroxy-3-methylanthracene-9,10-dione
Standard InChI:	InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
Standard InChI Key:	LQGUBLBATBMXHT-UHFFFAOYSA-N
SMILES:	Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1

Molecular propeties
AlogP:	2.18
Hydrogen bonds acceptors:	4
Hydrogen bonds donors:	2
Rotatable bonds:	0
Number of rings:	3
Molecular Weight:	254.06
Topological polar surface area:	74.6
Number of aromatic rings:	2
Fsp3:	0.067
Number of carbons:	15

Plant sources

Activity Type	Activity Value	Target Name	UniProt ID
Others	13 %	Purinergic receptor P2Y12	Q9H244
Ki	10000 nM	Purinergic receptor P2Y12	Q9H244
Potency	7079.5 nM	ATP-dependent DNA helicase Q1	P46063
Potency	25118.9 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	15848.9 nM	Thyroid stimulating hormone receptor	P16473
Potency	19952.6 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	2238.7 nM	Microtubule-associated protein tau	P10636
Potency	2818.4 nM	Microtubule-associated protein tau	P10636
Potency	3162.3 nM	Microtubule-associated protein tau	P10636
Potency	12589.3 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	39810.7 nM	Breast cancer type 1 susceptibility protein	P38398
Potency	3162.3 nM	MAP kinase ERK2	P28482
Potency	15848.9 nM	Thyroid stimulating hormone receptor	P16473
Potency	25118.9 nM	Ubiquitin carboxyl-terminal hydrolase 2	O75604
Potency	25118.9 nM	Cytochrome P450 3A4	P08684
Potency	25118.9 nM	Cytochrome P450 3A4	P08684
Potency	79432.8 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-1	P22309
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-6	P19224
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-9	O60656
Potency	26603.2 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	6682.4 nM	Nuclear receptor ROR-gamma	P51449
Others	38.1 %	Epoxide hydratase	P34913