acompound

Showing entry for n.a

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0052996
Compound Name	n.a
Structure
Formula	C38H50O6
InchiKey	QDKLRKZQSOQWJQ-AKAMJVKKSA-N
SMILES	CC(=CC[C@@]12C(=O)C(=C([C@](C1=O)(C[C@H](C(=C)C)CC=C(C)C)C[C@@H](C2(C)C)CC=C(C)C)O)C(=O)c1ccc(c(c1)O)O)C
Inchi	InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-40,42H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,37+,38-/m1/s1
IUPAC
Molecular Weight	602.36
Pubchem Id
Chembl Id	CHEMBL445599

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

n.a

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

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
Q09472	BXGT013038	Histone acetyltransferase p300	reviewed	-	EP300	IC50	'='	7000	nM
Q92831	BXGT019380	Histone acetyltransferase KAT2B	reviewed	-	KAT2B	IC50	'='	5000	nM
Q09472	BXGT013038	Histone acetyltransferase p300	reviewed	-	EP300	IC50	'='	500	nM
O14684	BXGT004082	Prostaglandin E synthase	reviewed	-	PTGES	IC50	'='	300	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05166	Pimpinella magna	Pimpinella magna	Others
BXGF05673	Garcinia intermedia	Garcinia intermedia	Human Edible 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}