acompound

Showing entry for Broussonin A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0030407
Compound Name	Broussonin A
Structure
Formula	C16H18O3
InchiKey	MSNVBURPCQDLEP-UHFFFAOYSA-N
SMILES	COc1ccc(c(c1)O)CCCc1ccc(cc1)O
Inchi	InChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3
IUPAC	2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol
Molecular Weight	258.13
Pubchem Id	5315502
Chembl Id	CHEMBL465879

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	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	-	30000	-	-
reviewed	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	-	8100	-	-
reviewed	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	-	1800	-	-
reviewed	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	-	-	-	1590
reviewed	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	-	-	-	530
reviewed	BXGT005592	Pancreatic triacylglycerol lipase	reviewed		PNLIP	-	98700	-	-

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
P00591	BXGT005592	Pancreatic triacylglycerol lipase	reviewed	-	PNLIP	Inhibition	'='	50	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	IC50	'='	8100	nM
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	EC50	'='	530	nM
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Activity	-	-	-
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	RBA	'='	0	%
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'='	30000	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	-	-	-
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	RBA	'='	0	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	EC50	-	-	-
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	IC50	'='	1800	nM
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	EC50	-	-	-
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	EC50	'='	1590	nM
P00591	BXGT005592	Pancreatic triacylglycerol lipase	reviewed	-	PNLIP	IC50	'='	98700	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02193	Broussonetia kazinoki	Broussonetia kazinoki	Medicinal Plant
BXGF04303	Anemarrhena asphodeloides	Anemarrhena asphodeloides	Medicinal Plant
BXGF05476	Broussonetia papyrifera	Broussonetia papyrifera	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}