acompound

Showing entry for Atranorin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019171
Compound Name	Atranorin
Structure
Formula	C19H18O8
InchiKey	YLOYKYXNDHOHHT-UHFFFAOYSA-N
SMILES	COC(=O)c1c(C)cc(c(c1O)C)OC(=O)c1c(C)cc(c(c1O)C=O)O
Inchi	InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3
IUPAC	(3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-formyl-2,4-dihydroxy-6-methylbenzoate
Molecular Weight	374.1
Pubchem Id	68066
Chembl Id	CHEMBL173395

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	-	63500	-	-

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
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	63500	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	4109	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	36000	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	44000	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	12589	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	94	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	76	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	122	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	109	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	61000	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	62400	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	128000	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	5804	nM
O14684	BXGT004082	Prostaglandin E synthase	reviewed	-	PTGES	IC50	'='	1150	nM

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
BXGF02489	Ajuga decumbens	Ajuga decumbens	Medicinal 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
BXGF03950	Cinchona calisaya	Cinchona calisaya	Medicinal Plant
BXGF04104	Helleborus niger	Helleborus niger	Medicinal Plant
BXGF04405	Sterculia urens	Sterculia urens	Medicinal Plant
BXGF05778	Stellera chamaejasme	Stellera chamaejasme	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}