Xanthone

Representations & DB's id
ChEBI:	CHEBI:37647
ChEMBL:	CHEMBL186784
PubChem:	7020
IUPAC:	xanthen-9-one
Standard InChI:	InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
Standard InChI Key:	JNELGWHKGNBSMD-UHFFFAOYSA-N
SMILES:	O=c1c2ccccc2oc2c1cccc2

Molecular propeties
AlogP:	2.95
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	0
Rotatable bonds:	0
Number of rings:	3
Molecular Weight:	196.05
Topological polar surface area:	26.3
Number of aromatic rings:	3
Fsp3:	0
Number of carbons:	13

Plant sources

Part of plant	Plant name	Ref.
Plant	Hypericum perforatum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Potency	25118.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	28183.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	25118.9 nM	Caspase-7	P55210
Potency	12589.3 nM	Survival motor neuron protein	Q16637
Potency	22387.2 nM	Microtubule-associated protein tau	P10636
Potency	28183.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	31622.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	25118.9 nM	Caspase-1	P29466
Potency	35481.3 nM	Alpha-galactosidase A	P06280
Potency	12589.3 nM	Cytochrome P450 3A4	P08684
Potency	12589.3 nM	Cytochrome P450 3A4	P08684
Potency	25118.9 nM	Beta-glucocerebrosidase	P04062
Potency	28183.8 nM	Alpha-galactosidase A	P06280