acompound

Showing entry for Lecanoric Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0013097
Compound Name	Lecanoric Acid
Structure
Formula	C16H14O7
InchiKey	HEMSJKZDHNSSEW-UHFFFAOYSA-N
SMILES	Oc1cc(C)c(c(c1)O)C(=O)Oc1cc(C)c(c(c1)O)C(=O)O
Inchi	InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)
IUPAC	4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoic acid
Molecular Weight	318.07
Pubchem Id	99613
Chembl Id	CHEMBL1451874

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
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	3981	nM
P08659	BXGT006805	Luciferin 4-monooxygenase	reviewed	-		Potency	-	21331	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	56234	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	56234	nM
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	50118	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	60	%
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	79432	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	10	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	11220	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	12589	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Potency	'='	39810	nM
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Potency	'='	39810	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	39810	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	28183	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	130	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	12	nM
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	15848	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	61	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00913	Garcinia atroviridis	Garcinia atroviridis	Medicinal Plant
BXGF01335	Acacia saligna	Acacia saligna	Medicinal Plant
BXGF01519	Pilosella officinarum	Pilosella officinarum	Medicinal Plant
BXGF01561	Gentiana purpurea	Gentiana purpurea	Medicinal Plant
BXGF02464	Solanum coccineum	Solanum coccineum	Others
BXGF02758	Coffea pseudozanguebariae	Coffea pseudozanguebariae	Others
BXGF02792	Ligusticum sinense	Ligusticum sinense	Medicinal Plant
BXGF02981	Fleischmannia hymenophylla	Fleischmannia hymenophylla	Others
BXGF03055	Astragalus pectinatus	Astragalus pectinatus	Others
BXGF03127	Roystonea regia	Roystonea regia	Human Edible Plant
BXGF04405	Sterculia urens	Sterculia urens	Medicinal Plant
BXGF04513	Celosia cristata	Celosia cristata	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}