acompound

Showing entry for (+)-N-benzoylbuxahyrcanine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042277
Compound Name	(+)-N-benzoylbuxahyrcanine
Structure
Formula	C33H50N2O2
InchiKey	QYYVJMYMRMHFOG-CYBVICEPSA-N
SMILES	CN([C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1[C@H]2CC[C@@H]2[C@](C1)(O)CC[C@@H](C2(C)C)N=C(c1ccccc1)O)C)C)C
Inchi	InChI=1S/C33H50N2O2/c1-22(35(6)7)25-16-19-32(5)26-13-14-27-30(2,3)28(34-29(36)23-11-9-8-10-12-23)17-20-33(27,37)21-24(26)15-18-31(25,32)4/h8-12,15,22,25-28,37H,13-14,16-21H2,1-7H3,(H,34,36)/t22-,25+,26+,27-,28-,31+,32-,33-/m0/s1
IUPAC
Molecular Weight	506.39
Pubchem Id	11081720
Chembl Id	CHEMBL469289

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	BXGT004559	Acetylcholinesterase	reviewed		ache	-	>1000000	-	-
reviewed	BXGT006430	Cholinesterase	reviewed		BCHE	-	310600	-	-

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
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'>'	1000000	nM
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	IC50	'='	310600	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03274	Buxus hyrcana	Buxus hyrcana	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}