acompound

Showing entry for Methyl Haematommate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053841
Compound Name	Methyl Haematommate
Structure
Formula	C10H10O5
InchiKey	PXFMUVDLJWXOQM-UHFFFAOYSA-N
SMILES	COC(=O)c1c(C)cc(c(c1O)C=O)O
Inchi	InChI=1S/C10H10O5/c1-5-3-7(12)6(4-11)9(13)8(5)10(14)15-2/h3-4,12-13H,1-2H3
IUPAC	methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate
Molecular Weight	210.05
Pubchem Id	591773
Chembl Id	CHEMBL470649

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

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	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	>200000	-	-

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
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	22387	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	651	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'>'	200000	nM
Q77YF9	BXGT016886	Protein Vpr	unreviewed	-	vpr	Potency	-	31622	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	5173	nM
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	50118	nM
O00206	BXGT003894	Toll-like receptor 4	reviewed	-	TLR4	Inhibition	'='	24	%
O00206	BXGT003894	Toll-like receptor 4	reviewed	-	TLR4	Inhibition	'='	67	%
O00206	BXGT003894	Toll-like receptor 4	reviewed	-	TLR4	Inhibition	'='	17	%
O00206	BXGT003894	Toll-like receptor 4	reviewed	-	TLR4	Inhibition	'='	38	%

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
BXGF04104	Helleborus niger	Helleborus niger	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}