acompound

Showing entry for Sumatrol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036579
Compound Name	Sumatrol
Structure
Formula	C23H22O7
InchiKey	ZPEHYKMRUBEPSQ-XMCHAPAWSA-N
SMILES	COc1cc2OC[C@@H]3[C@H](c2cc1OC)C(=O)c1c(O3)c2C[C@@H](Oc2cc1O)C(=C)C
Inchi	InChI=1S/C23H22O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,19-20,24H,1,6,9H2,2-4H3/t14-,19-,20+/m1/s1
IUPAC
Molecular Weight	410.14
Pubchem Id	442824
Chembl Id	CHEMBL518045

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
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	CD	'>'	23	uM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00867	Crotalaria paniculata	Crotalaria paniculata	Medicinal Plant
BXGF04018	Derris malaccensis	Derris malaccensis	Medicinal Plant
BXGF04258	Rubia cordifolia	Rubia cordifolia	Medicinal Plant
BXGF05289	Allium macrostemon	Allium macrostemon	Medicinal Plant
BXGF05658	Spiraea japonica	Spiraea japonica	Medicinal Plant
BXGF05995	Geijera parviflora	Geijera parviflora	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}