acompound

Showing entry for Bakuchiol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053762
Compound Name	Bakuchiol
Structure
Formula	C18H24O
InchiKey	LFYJSSARVMHQJB-QIXNEVBVSA-N
SMILES	C=C[C@@](/C=C/c1ccc(cc1)O)(CCC=C(C)C)C
Inchi	InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1
IUPAC	4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol
Molecular Weight	256.18
Pubchem Id	5468522
Chembl Id	CHEMBL262344

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

n.a

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

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
Q99814	BXGT019965	Endothelial PAS domain-containing protein 1	reviewed	Transcription factor	EPAS1	IC50	'='	6100	nM
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	IC50	'='	6100	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-7	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	13	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04275	Spiraea formosana	Spiraea formosana	Others
BXGF04734	Cullen corylifolium	Cullen corylifolium	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}