acompound

Showing entry for Ermanin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0048167
Compound Name	Ermanin
Structure
Formula	C17H14O6
InchiKey	RJCJVIFSIXKSAH-UHFFFAOYSA-N
SMILES	COc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1OC)O
Inchi	InChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3
IUPAC	5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
Molecular Weight	314.08
Pubchem Id	5352001
Chembl Id	CHEMBL309061

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	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	21800	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	-	45500	-	-

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'='	21800	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	IC50	'='	45500	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01382	Zingiber aromaticum	Zingiber aromaticum	Medicinal Plant
BXGF01963	Hippeastrum papilio	Hippeastrum papilio	Others
BXGF02600	Berberis repens	Berberis repens	Others
BXGF03582	Sedum litoreum	Sedum litoreum	Others
BXGF04129	Diphasiastrum thyoides	Diphasiastrum thyoides	Others
BXGF04252	Wyethia mollis	Wyethia mollis	Medicinal Plant
BXGF05088	Teucrium asiaticum	Teucrium asiaticum	Others
BXGF05161	Euphorbia myrsinites	Euphorbia myrsinites	Garden Plant
BXGF05201	Vicia amurensis	Vicia amurensis	Medicinal Plant
BXGF05404	Millettia ferruginea	Millettia ferruginea	Human Edible Plant
BXGF05557	Thermopsis dolichocarpa	Thermopsis dolichocarpa	Others
BXGF05586	Limnocharis flava	Limnocharis flava	Medicinal Plant
BXGF05608	Amaranthus hypochondriacus	Amaranthus hypochondriacus	Medicinal Plant
BXGF05657	Zanthoxylum fraxineum	Zanthoxylum fraxineum	Others
BXGF05806	Helicteres angustifolia	Helicteres angustifolia	Medicinal Plant
BXGF05907	Senecio viscosus	Senecio viscosus	Others
BXGF05992	Croton laccifer	Croton laccifer	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}