acompound

Showing entry for Dehydroaporheine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005350
Compound Name	Dehydroaporheine
Structure
Formula	C18H15NO2
InchiKey	YUWBTKIVDAWQHK-UHFFFAOYSA-N
SMILES	CN1CCC2=CC3=C(OCO3)C3=C2C1=CC1=CC=CC=C31
Inchi	InChI=1S/C18H15NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,8-9H,6-7,10H2,1H3
IUPAC	11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,?.0?,2?.01?,1?]icosa-1(20),2(6),7,12,14,16,18-heptaene
Molecular Weight	277.32
Pubchem Id	161899
Chembl Id	CHEMBL1171263

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
Q92888	BXGT026130	Rho guanine nucleotide exchange factor 1	reviewed	-	ARHGEF1	Inhibition	'='	21	%
Q7Z628	BXGT026116	Neuroepithelial cell-transforming gene 1 protein	reviewed	-	NET1	IC50	'='	120000	nM
Q7Z628	BXGT026116	Neuroepithelial cell-transforming gene 1 protein	reviewed	-	NET1	Inhibition	'='	83	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00813	Coffee and coffee products		Coffee and coffee products
BXGF00825	Root vegetables		Vegetables
BXGF02661	Sphaerophysa salsula	Sphaerophysa salsula	Others
BXGF02930	Euphorbia characias subsp. wulfenii	Euphorbia characias subsp. wulfenii	Medicinal Plant
BXGF02968	Doronicum grandiflorum	Doronicum grandiflorum	Others
BXGF03173	Oxytropis lanata	Oxytropis lanata	Others
BXGF03259	Populus balsamifera	Populus balsamifera	Medicinal Plant
BXGF03331	Strychnos gossweileri	Strychnos gossweileri	Others
BXGF03417	Leibnitzia anandria	Leibnitzia anandria	Medicinal Plant
BXGF03475	Lithocarpus haipinii	Lithocarpus haipinii	Others
BXGF05762	Ardisia hortorum	Ardisia hortorum	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}