Fraxetin

Representations & DB's id
ChEBI:	CHEBI:5169
ChEMBL:	CHEMBL54909
PubChem:	5273569
IUPAC:	7,8-dihydroxy-6-methoxychromen-2-one
Standard InChI:	InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
Standard InChI Key:	HAVWRBANWNTOJX-UHFFFAOYSA-N
SMILES:	COc1cc2ccc(=O)oc2c(c1O)O

Molecular propeties
AlogP:	1.21
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	2
Rotatable bonds:	1
Number of rings:	2
Molecular Weight:	208.04
Topological polar surface area:	76
Number of aromatic rings:	2
Fsp3:	0.1
Number of carbons:	10

Plant sources

Part of plant	Plant name	Ref.
Plant	Rhamnus cathartica
Plant	Rhamnus cathartica
Plant	Frangula alnus
Plant	Rhododendron tomentosum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Potency	1584.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	7943.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	7079.5 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	14125.4 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	15848.9 nM	Caspase-7	P55210
Potency	19952.6 nM	Caspase-7	P55210
Potency	14125.4 nM	Survival motor neuron protein	Q16637
Potency	14125.4 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	39810.7 nM	Cytochrome P450 2C19	P33261
Potency	14125.4 nM	Microtubule-associated protein tau	P10636
Potency	14125.4 nM	Microtubule-associated protein tau	P10636
Potency	31622.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	31622.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	12589.3 nM	Arachidonate 15-lipoxygenase	P16050
Potency	19952.6 nM	Microtubule-associated protein tau	P10636
Potency	31622.8 nM	MAP kinase ERK2	P28482
Potency	15848.9 nM	MAP kinase ERK2	P28482
Potency	25118.9 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	15848.9 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	31622.8 nM	Caspase-1	P29466
Potency	794.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	15848.9 nM	Caspase-1	P29466
Potency	25118.9 nM	Cytochrome P450 2C9	P11712
Potency	6309.6 nM	Lysine-specific demethylase 4A	O75164
Potency	12589.3 nM	Glutaminase kidney isoform, mitochondrial	O94925
Potency	651.3 nM	Geminin	O75496
Potency	25118.9 nM	Ataxin-2	Q99700
Potency	19952.6 nM	Glucagon-like peptide 1 receptor	P43220
Ki	94300 nM	Carbonic anhydrase II	P00918
Ki	9730 nM	Carbonic anhydrase XIII	Q8N1Q1
Ki	7700 nM	Carbonic anhydrase XII	O43570
Ki	4860 nM	Carbonic anhydrase I	P00915
Ki	4320 nM	Carbonic anhydrase VII	P43166
Ki	610 nM	Carbonic anhydrase IX	Q16790

Fraxetin

Representations & DB's id

Molecular propeties

Plant sources

In vitro data