acompound

Showing entry for 5-[(Z)-14-(3,5-Dihydroxyphenyl)Tetradec-10-Enyl]Benzene-1,3-Diol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043567
Compound Name	5-[(Z)-14-(3,5-Dihydroxyphenyl)Tetradec-10-Enyl]Benzene-1,3-Diol
Structure
Formula	C26H36O4
InchiKey	PFIQXUYXVYYERO-ALCCZGGFSA-N
SMILES	Oc1cc(CCCCCCCCC/C=C\CCCc2cc(O)cc(c2)O)cc(c1)O
Inchi	InChI=1S/C26H36O4/c27-23-15-21(16-24(28)19-23)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-17-25(29)20-26(30)18-22/h5,7,15-20,27-30H,1-4,6,8-14H2/b7-5-
IUPAC	5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-10-enyl]benzene-1,3-diol
Molecular Weight	412.26
Pubchem Id	10364369
Chembl Id	CHEMBL455348

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	BXGT006502	DNA polymerase beta	reviewed		Polb	-	7500	-	-

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
P06766	BXGT006502	DNA polymerase beta	reviewed	-	Polb	IC50	'='	7500	nM
P06766	BXGT006502	DNA polymerase beta	reviewed	-	Polb	Inhibition	'='	51	%
P06766	BXGT006502	DNA polymerase beta	reviewed	-	Polb	Inhibition	'='	98	%
P35520	BXGT009842	Cystathionine beta-synthase	reviewed	-	CBS	Inhibition	-	-	-
P35520	BXGT009842	Cystathionine beta-synthase	reviewed	-	CBS	IC50	'='	7400	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF06118	Panopsis rubescens	Panopsis rubescens	Others

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}