acompound

Showing entry for Tanshinone Iib

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0018607
Compound Name	Tanshinone Iib
Structure
Formula	C19H18O4
InchiKey	XDUXBBDRILEIEZ-UHFFFAOYSA-N
SMILES	OCC1(C)CCCc2c1ccc1c2C(=O)C(=O)c2c1occ2C
Inchi	InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
IUPAC	6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
Molecular Weight	310.12
Pubchem Id	318797
Chembl Id	CHEMBL215254

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	-	4800	-	-
reviewed	BXGT007435	Replicase polyprotein 1a	reviewed		1a	-	52000	-	-
reviewed	BXGT007435	Replicase polyprotein 1a	reviewed		1a	-	24800	-	-
reviewed	BXGT007435	Replicase polyprotein 1a	reviewed		1a	-	10700	-	-
reviewed	BXGT007435	Replicase polyprotein 1a	reviewed		1a	-	18000	-	-
reviewed	BXGT007435	Replicase polyprotein 1a	reviewed		1a	21600	-	-	-

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
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	-	-	-
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	IC50	'='	18000	nM
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	Inhibition	-	-	-
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	IC50	'='	10700	nM
Q15022	BXGT013523	Polycomb protein SUZ12	reviewed	Nucleic acid binding	SUZ12	IC50	'='	4800	nM
O75530	BXGT005135	Polycomb protein EED	reviewed	-	EED	IC50	'='	4800	nM
Q15910	BXGT013612	Histone-lysine N-methyltransferase EZH2	reviewed	Epigenetic regulator	EZH2	IC50	'='	4800	nM
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	IC50	'='	52000	nM
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	IC50	'='	24800	nM
Q9YQ12	BXGT022394	Protease	unreviewed	-	protease	Inhibition	-	-	-
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	Ki	'='	21600	nM
P00784	BXGT005655	Papain	reviewed	-		Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
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}