acompound

Showing entry for 17-Deoxoestrone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042349
Compound Name	17-Deoxoestrone
Structure
Formula	C18H24O
InchiKey	HJKVPZJVBHWFCQ-BDXSIMOUSA-N
SMILES	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2)C
Inchi	InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m1/s1
IUPAC	(8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Molecular Weight	256.18
Pubchem Id	5888
Chembl Id	CHEMBL261406

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	BXGT008096	Androgen receptor	reviewed		Ar	-	41686.94	-	-
reviewed	BXGT006182	Sex hormone-binding globulin	reviewed		SHBG	-	-	5	-

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
P15207	BXGT008096	Androgen receptor	reviewed	-	Ar	IC50	'='	41686	nM
P56937	BXGT011205	3-keto-steroid reductase	reviewed	-	HSD17B7	Inhibition	'='	4	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Ka	'='	2147483647	M-1
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Ka	'='	2147483647	M-1
P56937	BXGT011205	3-keto-steroid reductase	reviewed	-	HSD17B7	Inhibition	'='	6	%
P04278	BXGT006182	Sex hormone-binding globulin	reviewed	-	SHBG	Kd	'='	5	nM
O35627	BXGT004535	Nuclear receptor subfamily 1 group I member 3	reviewed	-	Nr1i3	Remaining activity	'='	56	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00085	Soy bean	Glycine max	Soy

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}