acompound

Showing entry for Gigantol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0014733
Compound Name	Gigantol
Structure
Formula	C16H18O4
InchiKey	BMSPEISBKGSBTR-UHFFFAOYSA-N
SMILES	COc1cc(CCc2ccc(c(c2)OC)O)cc(c1)O
Inchi	InChI=1S/C16H18O4/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-15(18)16(9-11)20-2/h5-10,17-18H,3-4H2,1-2H3
IUPAC	4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol
Molecular Weight	274.12
Pubchem Id	10221179
Chembl Id	CHEMBL219553

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	BXGT007520	Calmodulin-1	reviewed		CALM1	-	114180	-	-
reviewed	BXGT024595	Calmodulin-3	reviewed		CALM3	-	114180	-	-
reviewed	BXGT007521	Calmodulin-2	reviewed		CALM2	-	114180	-	-

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
P0DP23	BXGT007520	Calmodulin-1	reviewed	-	CALM1	IC50	'='	114180	nM
P62157	BXGT011410	Calmodulin	reviewed	-	CALM	Activity	-	-	-
Q05397	BXGT012815	Focal adhesion kinase 1	reviewed	Kinase	PTK2	Activity	-	-	-
P31749	BXGT009574	RAC-alpha serine/threonine-protein kinase	reviewed	Kinase	AKT1	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00114	Medlar	Mespilus germanica	Fruits
BXGF01098	Gynochthodes parvifolia	Gynochthodes parvifolia	Medicinal Plant
BXGF01528	Corydalis conspersa	Corydalis conspersa	Others
BXGF02001	Sideritis grandiflora	Sideritis grandiflora	Others
BXGF02089	Ligustrum ovalifolium	Ligustrum ovalifolium	Others
BXGF02111	Mikania luetzelburgii	Mikania luetzelburgii	Others
BXGF02148	Nidema boothii	Nidema boothii	Others
BXGF03632	Dendrobium fimbriatum	Dendrobium fimbriatum	Medicinal Plant
BXGF04857	Dendrobium densiflorum	Dendrobium densiflorum	Others
BXGF05029	Pittosporum brevicalyx	Pittosporum brevicalyx	Others
BXGF05173	Dendrobium nobile	Dendrobium nobile	Medicinal Plant
BXGF05300	Ungernia victoris	Ungernia victoris	Others
BXGF05599	Solanum euacanthum	Solanum euacanthum	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}