Umbelliferone

Representations & DB's id
ChEBI:	CHEBI:27510
ChEMBL:	CHEMBL51628
PubChem:	5281426
IUPAC:	7-hydroxychromen-2-one
Standard InChI:	InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
Standard InChI Key:	ORHBXUUXSCNDEV-UHFFFAOYSA-N
SMILES:	Oc1ccc2c(c1)oc(=O)cc2

Molecular propeties
AlogP:	1.5
Hydrogen bonds acceptors:	3
Hydrogen bonds donors:	1
Rotatable bonds:	0
Number of rings:	2
Molecular Weight:	162.03
Topological polar surface area:	46.5
Number of aromatic rings:	2
Fsp3:	0
Number of carbons:	9

Plant sources

Part of plant	Plant name	Ref.
Plant	Datura stramonium
Plant	Althaea officinalis
Root	Atropa belladonna
Plant	Calendula officinalis
Plant	Ruta graveolens
Plant	Ruta graveolens
Seed Essent. Oil	Anethum graveolens
Root	Anethum graveolens
Seed	Anethum graveolens
Fruit	Anethum graveolens
Root	Foeniculum vulgare
Fruit	Foeniculum vulgare
Seed	Foeniculum vulgare

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
IC50	22900 nM	Aldose reductase	P15121
Ki	58400 nM	Carbonic anhydrase I	P00915
Ki	482 nM	Carbonic anhydrase IX	Q16790
Ki	754 nM	Zn finger protein	Q43570
Ki	100000 nM	Carbonic anhydrase II	P00918
Potency	25118.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	14125.4 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	15848.9 nM	Caspase-7	P55210
Potency	50118.7 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	28183.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	31622.8 nM	Lysosomal alpha-glucosidase	P10253
Potency	28183.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	19952.6 nM	Caspase-1	P29466
Potency	35481.3 nM	Alpha-galactosidase A	P06280
Potency	28183.8 nM	Beta-glucocerebrosidase	P04062
Potency	39810.7 nM	Histone acetyltransferase GCN5	Q92830
Others	11 pm/min/mg	UDP-glucuronosyltransferase 1-10	Q9HAW8
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-8	Q9HAW9
Others	170 pm/min/mg	UDP-glucuronosyltransferase 1-1	P22309
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-10	Q9HAW8
Others	152 pm/min/mg	UDP-glucuronosyltransferase 1-3	P35503
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1A4	P22310
Others	665 pm/min/mg	UDP-glucuronosyltransferase 1-8	Q9HAW9
Others	600 pm/min/mg	UDP-glucuronosyltransferase 2A1	Q9Y4X1
Others	72 pm/min/mg	UDP-glucuronosyltransferase 2B15	P54855
IC50	500000 nM	Beta-secretase 1	P56817
Others	16 %	Beta-secretase 1	P56817
Ki	58400 nM	Carbonic anhydrase I	P00915
Ki	100000 nM	Carbonic anhydrase II	P00918
Ki	478 nM	Carbonic anhydrase IX	Q16790
Ki	754 nM	Carbonic anhydrase XII	O43570
Potency	20596.2 nM	Geminin	O75496
Potency	12589.3 nM	Glutaminase kidney isoform, mitochondrial	O94925
Potency	35481.3 nM	Alpha-galactosidase A	P06280
Potency	28183.8 nM	Ataxin-2	Q99700
Others	30.5 %	Beta amyloid A4 protein	P05067
IC50	100000 nM	Acetylcholinesterase	P22303
Others	0.98	Nuclear factor erythroid 2-related factor 2	Q16236
Ki	58400 nM	Carbonic anhydrase I	P00915
Ki	100000 nM	Carbonic anhydrase II	P00918
Ki	480 nM	Carbonic anhydrase IX	Q16790
Ki	750 nM	Carbonic anhydrase XII	O43570

Umbelliferone

Representations & DB's id

Molecular propeties

Plant sources

In vitro data