Herniarin

Representations & DB's id
ChEBI:	CHEBI:5679
ChEMBL:	CHEMBL49732
PubChem:	10748
IUPAC:	7-methoxychromen-2-one
Standard InChI:	InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
Standard InChI Key:	LIIALPBMIOVAHH-UHFFFAOYSA-N
SMILES:	COc1ccc2c(c1)oc(=O)cc2

Molecular propeties
AlogP:	1.8
Hydrogen bonds acceptors:	3
Hydrogen bonds donors:	0
Rotatable bonds:	1
Number of rings:	2
Molecular Weight:	176.05
Topological polar surface area:	35.5
Number of aromatic rings:	2
Fsp3:	0.1
Number of carbons:	10

Plant sources

Part of plant	Plant name	Ref.
Plant	Althaea officinalis
Plant	Ruta graveolens

Activity Type	Activity Value	Target Name	UniProt ID
Ki	9700 nM	Carbonic anhydrase XII	O43570
Ki	9000 nM	Carbonic anhydrase XIV	Q9ULX7
Ki	9800 nM	Carbonic anhydrase IX	Q16790
Ki	2400 nM	Carbonic anhydrase VII	P43166
Ki	5500 nM	Carbonic anhydrase VI	P23280
Ki	500000 nM	Carbonic anhydrase VB	Q9Y2D0
Ki	5100 nM	Carbonic anhydrase VA	P35218
Ki	8300 nM	Carbonic anhydrase IV	P22748
Ki	96000 nM	Carbonic anhydrase III	P07451
Ki	500000 nM	Carbonic anhydrase II	P00918
Ki	5900 nM	Carbonic anhydrase I	P00915
IC50	25000 nM	Exportin-1	O14980
IC50	67500 nM	Aldose reductase	P15121
Potency	25118.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	28183.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	31622.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	28183.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	31622.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	28183.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	31622.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
IC50	500000 nM	Beta-secretase 1	P56817
Others	1.1 %	Beta-secretase 1	P56817
IC50	131000 nM	Aldose reductase	P15121