acompound

Showing entry for Benzofuran-5-Carbaldehyde

General Compound Information
BXGC Id	BXGC0046928
Compound Name	Benzofuran-5-Carbaldehyde
Structure
Formula	C9H6O2
InchiKey	LLLBDLDNTMMZHL-UHFFFAOYSA-N
SMILES	O=Cc1ccc2c(c1)cco2
Inchi	InChI=1S/C9H6O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H
IUPAC	1-benzofuran-5-carbaldehyde
Molecular Weight	146.04
Pubchem Id	2773875
Chembl Id	CHEMBL3358215

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

50037779

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	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	5500	-	-	-
reviewed	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	-	50	-	-
reviewed	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	2400	-	-	-
reviewed	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	-	400	-	-
reviewed	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	70	-	-	-

CHEMBL

CHEMBL3358215

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
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Inhibition	-	-	-
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Ki	'='	5500	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Ki	'='	70	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	IC50	'='	50	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Ki	'='	2400	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Kinact	'='	0	/min
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	IC50	'='	400	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01254	Petrorhagia dubia	Petrorhagia dubia	Others
BXGF01678	Nepeta multifida	Nepeta multifida	Others
BXGF01702	Eremostachys moluccelloides	Eremostachys moluccelloides	Others
BXGF02654	Guarea trichilioides	Guarea trichilioides	Others
BXGF02960	Vicia benghalensis	Vicia benghalensis	Agricultural Plant
BXGF03070	Callerya cinerea	Callerya cinerea	Human Edible Plant
BXGF03646	Carlina acanthifolia	Carlina acanthifolia	Medicinal Plant
BXGF03810	Osmanthus heterophyllus	Osmanthus heterophyllus	Others
BXGF04081	Maytenus hookeri	Maytenus hookeri	Medicinal Plant
BXGF04088	Aster ageratoides	Aster ageratoides	Human Edible Plant
BXGF04108	Delphinium cashmerianum	Delphinium cashmerianum	Medicinal Plant
BXGF04118	Thaminophyllum multiflorum	Thaminophyllum multiflorum	Others
BXGF04127	Tephrosia pumila	Tephrosia pumila	Medicinal Plant
BXGF04137	Senecio rupestris	Senecio rupestris	Others
BXGF04143	Vitis silvestris	Vitis silvestris	Others
BXGF04148	Pluchea suaveolens	Pluchea suaveolens	Others
BXGF04152	Mussaenda parviflora	Mussaenda parviflora	Others
BXGF04160	Pilocarpus spicatus	Pilocarpus spicatus	Others
BXGF04166	Walsura tubulata	Walsura tubulata	Others
BXGF04169	Anisodus tanguticus	Anisodus tanguticus	Medicinal Plant
BXGF04183	Tephrosia vogelii	Tephrosia vogelii	Medicinal Plant
BXGF04195	Panax papyrifer	Panax papyrifer	Others
BXGF04218	Heuchera cylindrica	Heuchera cylindrica	Medicinal Plant
BXGF04223	Amelanchier vulgaris	Amelanchier vulgaris	Others
BXGF04242	Prunus lusitanica	Prunus lusitanica	Medicinal Plant
BXGF04291	Calea pilosa	Calea pilosa	Others
BXGF04307	Stevia connata	Stevia connata	Others
BXGF04330	Helichrysum davenportii	Helichrysum davenportii	Others
BXGF04335	Plectranthus purpuratus	Plectranthus purpuratus	Others
BXGF04344	Cineraria geifolia	Cineraria geifolia	Others
BXGF04353	Halocarpus biformis	Halocarpus biformis	Others
BXGF04397	Iochroma australe	Iochroma australe	Others
BXGF04798	Ranunculus acris	Ranunculus acris	Medicinal Plant
BXGF05069	Piper sanctum	Piper sanctum	Human Edible 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}