acompound

Showing entry for (+)-Crispine A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035349
Compound Name	(+)-Crispine A
Structure
Formula	C14H19NO2
InchiKey	MVIOZTSBCZNBFR-GFCCVEGCSA-N
SMILES	COc1cc2c(cc1OC)CCN1[C@@H]2CCC1
Inchi	InChI=1S/C14H19NO2/c1-16-13-8-10-5-7-15-6-3-4-12(15)11(10)9-14(13)17-2/h8-9,12H,3-7H2,1-2H3/t12-/m1/s1
IUPAC	(10bR)-8,9-dimethoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
Molecular Weight	233.14
Pubchem Id	11673094
Chembl Id	CHEMBL4077320

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
P12392	BXGT007812	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	Ki	'='	100000	nM
P04757	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed	-	Chrna3	Ki	'='	100000	nM
P36544	BXGT009926	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	CHRNA7	EC50	'>'	100000	nM
Q8R493	BXGT018685	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	IC50	'='	16000	nM
Q9ERK7	BXGT020309	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	IC50	'='	16000	nM
P12392	BXGT007812	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	IC50	'>'	100000	nM
P04757	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed	-	Chrna3	IC50	'>'	100000	nM
P36544	BXGT009926	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	CHRNA7	IC50	'>'	100000	nM
P12390	BXGT007810	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	Ki	'='	2500	nM
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Ki	'='	2500	nM
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Ki	'='	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00128	Passion fruit	Passiflora edulis	Fruits
BXGF01397	Euphorbia sieboldiana	Euphorbia sieboldiana	Medicinal Plant
BXGF01713	Cucumis myriocarpus	Cucumis myriocarpus	Medicinal Plant
BXGF03542	Angylocalyx braunii	Angylocalyx braunii	Others
BXGF03592	Wedelia scaberrima	Wedelia scaberrima	Others
BXGF03656	Tripterygium regelii	Tripterygium regelii	Medicinal Plant
BXGF03816	Stachyurus himalaicus	Stachyurus himalaicus	Others
BXGF05198	Archidendron lucidum	Archidendron lucidum	Others
BXGF05222	Veronica persica	Veronica persica	Medicinal Plant
BXGF05406	Tsuga diversifolia	Tsuga diversifolia	Others
BXGF05496	Chrysocoma peduncularis	Chrysocoma peduncularis	Others
BXGF05769	Vismia orientalis	Vismia orientalis	Medicinal Plant
BXGF05783	Phebalium ambiens	Phebalium ambiens	Others
BXGF05807	Brachychiton populneum	Brachychiton populneum	Others
BXGF05930	Passiflora foetida	Passiflora foetida	Medicinal Plant
BXGF06082	Narthecium asiaticum	Narthecium asiaticum	Others
BXGF06262	Vernonanthura pinguis	Vernonanthura pinguis	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}