acompound

Showing entry for Squamatic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0016991
Compound Name	Squamatic acid
Structure
Formula	C19H18O9
InchiKey	WCWYEXBIRSSVGF-UHFFFAOYSA-N
SMILES	COc1cc(C)c(c(c1C(=O)O)O)C(=O)Oc1cc(C)c(c(c1C)O)C(=O)O
Inchi	InChI=1S/C19H18O9/c1-7-5-10(9(3)15(20)12(7)17(22)23)28-19(26)13-8(2)6-11(27-4)14(16(13)21)18(24)25/h5-6,20-21H,1-4H3,(H,22,23)(H,24,25)
IUPAC	4-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid
Molecular Weight	390.1
Pubchem Id	5321482
Chembl Id	CHEMBL1730581

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
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	39810	nM
Q57TT1	BXGT015153	Uncharacterized protein	unreviewed	-	Tb927.8.6820	Potency	-	35481	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	12990	nM
Q8WZA2	BXGT019025	Rap guanine nucleotide exchange factor 4	reviewed	Enzyme modulator	RAPGEF4	Potency	-	39810	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00085	Soy bean	Glycine max	Soy
BXGF00125	Rice	Oryza sativa	Cereals and cereal products
BXGF00453	Towel gourd	Luffa aegyptiaca	Gourds
BXGF03553	Cephalotaxus koreana	Cephalotaxus koreana	Others
BXGF04705	Abrus precatorius	Abrus precatorius	Medicinal Plant
BXGF05943	Tilia vulgaris	Tilia vulgaris	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}