acompound

Showing entry for TCMDC-138525

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025581
Compound Name	TCMDC-138525
Structure
Formula	C21H23NO5
InchiKey	SQAYCDKOCYEIQZ-AWEZNQCLSA-N
SMILES	COc1c(OC)cc2c(c1OC)C[C@H]1c3c2c2OCOc2cc3CCN1C
Inchi	InChI=1S/C21H23NO5/c1-22-6-5-11-7-16-20(27-10-26-16)18-12-9-15(23-2)21(25-4)19(24-3)13(12)8-14(22)17(11)18/h7,9,14H,5-6,8,10H2,1-4H3/t14-/m0/s1
IUPAC
Molecular Weight	369.16
Pubchem Id	1549362
Chembl Id	CHEMBL546282

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
O97467	BXGT005437	Hexose transporter 1	unreviewed	-	ht1	Inhibition	'='	1	%
P11166	BXGT007661	Solute carrier family 2, facilitated glucose transporter member 1	reviewed	Transporter	SLC2A1	Inhibition	'='	0	%
O61059	BXGT004913	Glucose transporter	unreviewed	-	LmGT2	Inhibition	'='	1	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05929	Verbena littoralis	Verbena littoralis	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}