acompound

Showing entry for BAUHINOXEPIN E

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0026434
Compound Name	BAUHINOXEPIN E
Structure
Formula	C17H18O5
InchiKey	SWPRPBCOZYZAMD-UHFFFAOYSA-N
SMILES	COc1c2Oc3cccc(c3CCc2c(c(c1C)OC)O)O
Inchi	InChI=1S/C17H18O5/c1-9-15(20-2)14(19)11-8-7-10-12(18)5-4-6-13(10)22-17(11)16(9)21-3/h4-6,18-19H,7-8H2,1-3H3
IUPAC	1,3-dimethoxy-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine-4,7-diol
Molecular Weight	302.12
Pubchem Id	16679964
Chembl Id	CHEMBL227795

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	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	-	>33100	-	-
reviewed	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	-	>33100	-	-

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
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	IC50	'>'	33100	nM
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	IC50	'>'	33100	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03847	Thermopsis mollis	Thermopsis mollis	Others
BXGF04430	Crinum latifolium	Crinum latifolium	Medicinal Plant
BXGF05073	Alnus cordata	Alnus cordata	Human Edible Plant
BXGF05308	Aloe deltoideodonta	Aloe deltoideodonta	Others
BXGF05501	Bauhinia purpurea	Bauhinia purpurea	Medicinal Plant
BXGF05960	Leitneria floridana	Leitneria floridana	Others
BXGF06124	Notholaena aschenborniana	Notholaena aschenborniana	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}