acompound

Showing entry for lappaconitine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0017878
Compound Name	lappaconitine
Structure
Formula	C32H44N2O8
InchiKey	NWBWCXBPKTTZNQ-GZGPSRNVSA-N
SMILES	CCN1C[C@@]2(CC[C@@H]([C@]34C1[C@H](CC23)[C@@]1(O)C[C@@H]([C@H]2CC4[C@]1(O)[C@H]2OC)OC)OC)OC(=O)c1ccccc1N=C(O)C
Inchi	InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23?,24?,25+,26?,27+,29-,30+,31+,
IUPAC
Molecular Weight	584.31
Pubchem Id	16464737
Chembl Id	CHEMBL2112849

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	BXGT012847	Neuronal acetylcholine receptor subunit alpha-7	reviewed		Chrna7	-	96000	-	-

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	Inhibition	'='	1	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-7	%
Q05941	BXGT012847	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	Chrna7	IC50	'='	96000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01885	Aconitum triphyllum	Aconitum triphyllum	Others
BXGF05360	Aconitum ciliare	Aconitum ciliare	Others
BXGF05365	Aconitum carmichaelii	Aconitum carmichaelii	Medicinal Plant
BXGF05851	Aconitum japonicum	Aconitum japonicum	Medicinal Plant
BXGF06106	Aconitum kusnezoffii	Aconitum kusnezoffii	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}