acompound

Showing entry for Methyl Tanshinonate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0018374
Compound Name	Methyl Tanshinonate
Structure
Formula	C20H18O5
InchiKey	YFDKIHAZVQFLRC-FQEVSTJZSA-N
SMILES	COC(=O)[C@@]1(C)CCCc2c1ccc1c2C(=O)C(=O)c2c1occ2C
Inchi	InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3/t20-/m0/s1
IUPAC	methyl (6S)-1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carboxylate
Molecular Weight	338.12
Pubchem Id	14610613
Chembl Id	CHEMBL2146517

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	BXGT013612	Histone-lysine N-methyltransferase EZH2	reviewed	Epigenetic regulator	EZH2	-	9600	-	-
reviewed	BXGT007435	Replicase polyprotein 1a	reviewed		1a	9700	-	-	-
reviewed	BXGT007435	Replicase polyprotein 1a	reviewed		1a	-	21100	-	-
reviewed	BXGT007435	Replicase polyprotein 1a	reviewed		1a	-	9200	-	-
reviewed	BXGT007435	Replicase polyprotein 1a	reviewed		1a	-	10600	-	-

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
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	Inhibition	-	-	-
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	Ki	'='	9700	nM
Q9YQ12	BXGT022394	Protease	unreviewed	-	protease	IC50	'='	103500	nM
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	IC50	'='	10600	nM
Q99814	BXGT019965	Endothelial PAS domain-containing protein 1	reviewed	Transcription factor	EPAS1	IC50	'='	7480	nM
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	IC50	'='	7480	nM
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	IC50	'='	21100	nM
Q99814	BXGT019965	Endothelial PAS domain-containing protein 1	reviewed	Transcription factor	EPAS1	IC50	'='	7340	nM
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	IC50	'='	7340	nM
Q15022	BXGT013523	Polycomb protein SUZ12	reviewed	Nucleic acid binding	SUZ12	Inhibition	-	-	-
O75530	BXGT005135	Polycomb protein EED	reviewed	-	EED	Inhibition	-	-	-
Q15910	BXGT013612	Histone-lysine N-methyltransferase EZH2	reviewed	Epigenetic regulator	EZH2	Inhibition	-	-	-
P00784	BXGT005655	Papain	reviewed	-		Inhibition	-	-	-
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	IC50	'='	9200	nM
Q15022	BXGT013523	Polycomb protein SUZ12	reviewed	Nucleic acid binding	SUZ12	IC50	'='	9600	nM
O75530	BXGT005135	Polycomb protein EED	reviewed	-	EED	IC50	'='	9600	nM
Q15910	BXGT013612	Histone-lysine N-methyltransferase EZH2	reviewed	Epigenetic regulator	EZH2	IC50	'='	9600	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01940	Salvia trijuga	Salvia trijuga	Medicinal Plant
BXGF02889	Salvia prionitis	Salvia prionitis	Medicinal Plant
BXGF04934	Salvia przewalskll	Salvia przewalskll	Others
BXGF05526	Salvia miltiorrhiza	Salvia miltiorrhiza	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}