acompound

Showing entry for Orsellinic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034992
Compound Name	Orsellinic Acid
Structure
Formula	C8H8O4
InchiKey	AMKYESDOVDKZKV-UHFFFAOYSA-N
SMILES	Oc1cc(C)c(c(c1)O)C(=O)O
Inchi	InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)
IUPAC	2,4-dihydroxy-6-methylbenzoic acid
Molecular Weight	168.04
Pubchem Id	68072
Chembl Id	CHEMBL457583

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

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
E1BHM0	BXGT003067	C-type lectin domain family 4 member E	unreviewed	CLEC4E	-	-	-	-	-

Binding DB

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
reviewed	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	-	>100000	-	-

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
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	IC50	'>'	100000	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	66	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	45	%
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	'='	86	%
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	8	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01519	Pilosella officinarum	Pilosella officinarum	Medicinal Plant
BXGF02464	Solanum coccineum	Solanum coccineum	Others
BXGF02758	Coffea pseudozanguebariae	Coffea pseudozanguebariae	Others
BXGF02981	Fleischmannia hymenophylla	Fleischmannia hymenophylla	Others
BXGF03055	Astragalus pectinatus	Astragalus pectinatus	Others
BXGF03127	Roystonea regia	Roystonea regia	Human Edible Plant
BXGF03426	Rhodiola crenulata	Rhodiola crenulata	Medicinal Plant

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}