acompound

Showing entry for Epiestradiol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005429
Compound Name	Epiestradiol
Structure
Formula	C18H24O2
InchiKey	VOXZDWNPVJITMN-UHFFFAOYSA-N
SMILES	CC12CCC3C(CCC4=C3C=CC(O)=C4)C1CCC2O
Inchi	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3
IUPAC	(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.02,?.011,1?]heptadeca-2(7),3,5-triene-5,14-diol
Molecular Weight	272.38
Pubchem Id	450
Chembl Id	CHEMBL412

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	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	0.83	-	-	-

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
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	3	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	29934	nM
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	Potency	-	15848	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	794	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	11220	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00144	Apricot	Prunus armeniaca	Fruits
BXGF00151	Pomegranate	Punica granatum	Fruits

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}