acompound

Showing entry for Orsellinic Acid, Ethyl Ester

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019723
Compound Name	Orsellinic Acid, Ethyl Ester
Structure
Formula	C10H12O4
InchiKey	UQSRXQMIXSZGLA-UHFFFAOYSA-N
SMILES	CCOC(=O)c1c(C)cc(cc1O)O
Inchi	InChI=1S/C10H12O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3
IUPAC	ethyl 2,4-dihydroxy-6-methylbenzoate
Molecular Weight	196.07
Pubchem Id	75653
Chembl Id	CHEMBL1601166

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	14125	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	1000	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	25118	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	105	%
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	366	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	25118	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	116	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04023	Putterlickia verrucosa	Putterlickia verrucosa	Others
BXGF04357	Gentiana dahurica	Gentiana dahurica	Medicinal Plant
BXGF04484	Cirsium brevistylum	Cirsium brevistylum	Medicinal Plant
BXGF04817	Euonymus alatus	Euonymus alatus	Medicinal Plant
BXGF05309	Calypogeia integristipula	Calypogeia integristipula	Others
BXGF05535	Desmodium oxyphyllum	Desmodium oxyphyllum	Others
BXGF05662	Vernonia condensata	Vernonia condensata	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}