Fraxidin Methyl Ether

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL253551
PubChem:	3083928
IUPAC:	6,7,8-trimethoxychromen-2-one
Standard InChI:	InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3
Standard InChI Key:	RAYQKHLZHPFYEJ-UHFFFAOYSA-N
SMILES:	COc1c(OC)c(OC)cc2c1oc(=O)cc2

Molecular propeties
AlogP:	1.82
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	0
Rotatable bonds:	3
Number of rings:	2
Molecular Weight:	236.07
Topological polar surface area:	54
Number of aromatic rings:	2
Fsp3:	0.25
Number of carbons:	12

Plant sources

Part of plant	Plant name	Ref.
Plant	Citrullus colocynthis

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	25118.9 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	35481.3 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	25118.9 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Ki	100000 nM	Carbonic anhydrase II	P00918
Ki	18200 nM	Carbonic anhydrase XII	O43570
Ki	9280 nM	Carbonic anhydrase VII	P43166
Ki	6580 nM	Carbonic anhydrase IX	Q16790
Ki	4240 nM	Carbonic anhydrase XIII	Q8N1Q1
Ki	9.7 nM	Carbonic anhydrase I	P00915