acompound

Showing entry for Dehydrocorybulbine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0027518
Compound Name	Dehydrocorybulbine
Structure
Formula	C21H21NO4
InchiKey	XWCVASCMRTXXRY-UHFFFAOYSA-O
SMILES	COC1=CC2=c3[n+](CCC2=CC1=O)cc1c(c3C)ccc(c1OC)OC
Inchi	InChI=1S/C21H21NO4/c1-12-14-5-6-18(24-2)21(26-4)16(14)11-22-8-7-13-9-17(23)19(25-3)10-15(13)20(12)22/h5-6,9-11H,7-8H2,1-4H3/p+1
IUPAC	2,9,10-trimethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Molecular Weight	352.15
Pubchem Id	5316439
Chembl Id	CHEMBL3343658

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	BXGT006080	Neuraminidase	reviewed		NA	-	80500	-	-
reviewed	BXGT006080	Neuraminidase	reviewed		NA	-	100200	-	-

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
P03469	BXGT006080	Neuraminidase	reviewed	-	NA	IC50	'='	80500	nM
P03469	BXGT006080	Neuraminidase	reviewed	-	NA	IC50	'='	100200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01731	Corydalis turtschaninovii	Corydalis turtschaninovii	Human Edible Plant
BXGF04006	Corydalis ternata	Corydalis ternata	Others
BXGF05994	Corydalis yanhusuo	Corydalis yanhusuo	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}