acompound

Showing entry for 5-(8,11-Pentadecadienyl)-1,3-benzenediol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0009724
Compound Name	5-(8,11-Pentadecadienyl)-1,3-benzenediol
Structure
Formula	C21H32O2
InchiKey	UFMJCOLGRWKUKO-UTOQUPLUSA-N
SMILES	CCC\C=C/C\C=C/CCCCCCCC1=CC(O)=CC(O)=C1
Inchi	InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h4-5,7-8,16-18,22-23H,2-3,6,9-15H2,1H3/b5-4-,8-7-
IUPAC	5-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol
Molecular Weight	316.48
Pubchem Id	11702450
Chembl Id	CHEMBL459604

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	BXGT006736	Seed linoleate 13S-lipoxygenase-1	reviewed		LOX1.1	-	167000	-	-

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	ID50	'='	0	mM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Activity	-	-	-
P08170	BXGT006736	Seed linoleate 13S-lipoxygenase-1	reviewed	-	LOX1.1	IC50	'='	167000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	89	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00821	Nuts		Nuts
BXGF01401	Aronia arbutifolia	Aronia arbutifolia	Medicinal Plant
BXGF01520	Viscaria viscosa	Viscaria viscosa	Others
BXGF01532	Clibadium mexiae	Clibadium mexiae	Others
BXGF02469	Discaria serratifolia	Discaria serratifolia	Others
BXGF05097	Pteris dactylina	Pteris dactylina	Medicinal Plant
BXGF06172	Pyrostegia venusta	Pyrostegia venusta	Others
BXGF06324	Justicia hayatai	Justicia hayatai	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}