acompound

Showing entry for Bonducellin

General Compound Information
BXGC Id	BXGC0024677
Compound Name	Bonducellin
Structure
Formula	C17H14O4
InchiKey	DLQSYZMPSWHYMW-XYOKQWHBSA-N
SMILES	COc1ccc(cc1)/C=C/1\COc2c(C1=O)ccc(c2)O
Inchi	InChI=1S/C17H14O4/c1-20-14-5-2-11(3-6-14)8-12-10-21-16-9-13(18)4-7-15(16)17(12)19/h2-9,18H,10H2,1H3/b12-8+
IUPAC	(3E)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
Molecular Weight	282.09
Pubchem Id	14079439
Chembl Id	CHEMBL450675

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

50443669

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	BXGT011959	Cholinesterase	reviewed		BCHE	-	>100000	-	-
reviewed	BXGT004559	Acetylcholinesterase	reviewed		ache	-	>100000	-	-

CHEMBL

CHEMBL450675

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
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	IC50	'='	1060	nM
P35968	BXGT009887	Vascular endothelial growth factor receptor 2	reviewed	Kinase	KDR	Inhibition	'='	13	%
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	Inhibition	'='	24	%
P21802	BXGT008691	Fibroblast growth factor receptor 2	reviewed	Kinase	FGFR2	Inhibition	'='	0	%
P11362	BXGT007693	Fibroblast growth factor receptor 1	reviewed	Kinase	FGFR1	Inhibition	'='	6	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'>'	100000	nM
P00533	BXGT005575	Epidermal growth factor receptor	reviewed	Kinase	EGFR	Inhibition	'='	0	%
P10721	BXGT007605	Mast/stem cell growth factor receptor Kit	reviewed	Kinase	KIT	Inhibition	'='	6	%
P08581	BXGT006794	Hepatocyte growth factor receptor	reviewed	Kinase	MET	Inhibition	-	-	-
P12931	BXGT007859	Proto-oncogene tyrosine-protein kinase Src	reviewed	Kinase	SRC	Inhibition	'='	0	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01227	Cyperus capitatus	Cyperus capitatus	Others
BXGF01257	Eucalyptus froggattii	Eucalyptus froggattii	Others
BXGF01384	Litsea nitida	Litsea nitida	Others
BXGF01571	Pistacia mexicana	Pistacia mexicana	Human Edible Plant
BXGF01667	Tripterygium wilfordii	Tripterygium wilfordii	Medicinal Plant
BXGF01934	Delphinium tricorne	Delphinium tricorne	Others
BXGF02014	Jatropha gossypiifolia	Jatropha gossypiifolia	Medicinal Plant
BXGF02023	Tamarix dioica	Tamarix dioica	Medicinal Plant
BXGF02077	Boronia alata	Boronia alata	Others
BXGF02102	Lobelia langeana	Lobelia langeana	Others
BXGF02226	Helleborus viridis	Helleborus viridis	Medicinal Plant
BXGF02271	Xanthium canadense	Xanthium canadense	Medicinal Plant
BXGF02324	Iris sibirica	Iris sibirica	Medicinal Plant
BXGF02391	Haemanthus albiflos	Haemanthus albiflos	Medicinal Plant
BXGF02413	Sibiraea angustata	Sibiraea angustata	Others
BXGF02444	Valeriana officinalis	Valeriana officinalis	Medicinal Plant
BXGF02467	Peltophorum dubium	Peltophorum dubium	Others
BXGF02501	Hordeum bulbosum	Hordeum bulbosum	Medicinal Plant
BXGF02584	Magnolia henryi	Magnolia henryi	Others
BXGF02628	Micromelum falcatum	Micromelum falcatum	Human Edible Plant
BXGF02634	Andrographis lineata	Andrographis lineata	Medicinal Plant
BXGF02660	Eria siamensis	Eria siamensis	Others
BXGF02700	Prunus pseudocerasus	Prunus pseudocerasus	Medicinal Plant
BXGF02714	Vernonia aurea	Vernonia aurea	Others
BXGF02795	Baccharis patagonica	Baccharis patagonica	Others
BXGF02799	Betula papyrifera	Betula papyrifera	Medicinal Plant
BXGF02831	Hoya australis	Hoya australis	Others
BXGF02873	Ephedra altissima	Ephedra altissima	Medicinal Plant
BXGF02894	Bignonia unguiscati	Bignonia unguiscati	Others
BXGF02904	Coronilla hyrcana	Coronilla hyrcana	Others
BXGF02921	Erica cinerea	Erica cinerea	Medicinal Plant
BXGF02943	Maytenus emarginata	Maytenus emarginata	Others
BXGF04046	Biancaea sappan	Biancaea sappan	Medicinal Plant
BXGF05046	stuhlmannia moavi	stuhlmannia moavi	Others
BXGF05232	Isolona pilosa	Isolona pilosa	Others
BXGF05439	Thalictrum glaucum	Thalictrum glaucum	Others
BXGF05677	Cinnamomum philippinense	Cinnamomum philippinense	Human Edible Plant
BXGF05822	Salvia miniata	Salvia miniata	Others
BXGF05926	Eria tomentosa	Eria tomentosa	Others
BXGF06162	Aeschynanthus parvifolius	Aeschynanthus parvifolius	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}