acompound

Showing entry for Effusol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053315
Compound Name	Effusol
Structure
Formula	C17H16O2
InchiKey	GEXAPRXWKRZPCK-UHFFFAOYSA-N
SMILES	C=Cc1cc(O)cc2c1c1ccc(c(c1CC2)C)O
Inchi	InChI=1S/C17H16O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3,6-9,18-19H,1,4-5H2,2H3
IUPAC	5-ethenyl-1-methyl-9,10-dihydrophenanthrene-2,7-diol
Molecular Weight	252.12
Pubchem Id	100801
Chembl Id	CHEMBL205119

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	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	-	12	-	-
reviewed	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	-	240	-	-
reviewed	BXGT012284	dTDP-4-dehydrorhamnose reductase	reviewed		rmlD	-	25000	-	-

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
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Ratio IC50	'='	20	-
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Ratio IC50	'='	20	-
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	IC50	'='	240	nM
P9WH09	BXGT012284	dTDP-4-dehydrorhamnose reductase	reviewed	-	rmlD	IC50	'='	25000	nM
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	IC50	'='	12	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01160	Juncus effusus	Juncus effusus	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}