acompound

Showing entry for Ledebouriellol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034116
Compound Name	Ledebouriellol
Structure
Formula	C20H22O7
InchiKey	KKDRQZCQNSHBHY-AVFOEOQDSA-N
SMILES	C/C=C(\C(=O)O[C@H]1Cc2c(OC1(C)C)cc1c(c2O)c(=O)cc(o1)CO)/C
Inchi	InChI=1S/C20H22O7/c1-5-10(2)19(24)26-16-7-12-14(27-20(16,3)4)8-15-17(18(12)23)13(22)6-11(9-21)25-15/h5-6,8,16,21,23H,7,9H2,1-4H3/b10-5-/t16-/m0/s1
IUPAC	[(3S)-5-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] (Z)-2-methylbut-2-enoate
Molecular Weight	374.14
Pubchem Id	5318962
Chembl Id	CHEMBL2059291

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
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Activity	'='	108	%
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Activity	'='	102	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02333	Saposhnikovia divaricata	Saposhnikovia divaricata	Medicinal Plant
BXGF06004	Allium chinense	Allium chinense	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}