acompound

Showing entry for Methyl Orsellinate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0024807
Compound Name	Methyl Orsellinate
Structure
Formula	C9H10O4
InchiKey	NCCWCZLEACWJIN-UHFFFAOYSA-N
SMILES	COC(=O)c1c(C)cc(cc1O)O
Inchi	InChI=1S/C9H10O4/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4,10-11H,1-2H3
IUPAC	methyl 2,4-dihydroxy-6-methylbenzoate
Molecular Weight	182.06
Pubchem Id	76658
Chembl Id	CHEMBL454431

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	12589	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'>'	200000	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	2818	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	90	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	98	%

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
BXGF02639	Rhododendron ferrugineum	Rhododendron ferrugineum	Human Edible Plant
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
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}