acompound

Showing entry for Evodiamine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0017248
Compound Name	Evodiamine
Structure
Formula	C19H17N3O
InchiKey	TXDUTHBFYKGSAH-GOSISDBHSA-N
SMILES	O=C1c2ccccc2N([C@@H]2N1CCc1c2[nH]c2c1cccc2)C
Inchi	InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m1/s1
IUPAC
Molecular Weight	303.14
Pubchem Id	6971167
Chembl Id	CHEMBL486598

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	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	-	690	-	-
reviewed	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	-	24560	-	-

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
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	IC50	'='	16300	nM
Q9NTG7	BXGT021211	NAD-dependent protein deacetylase sirtuin-3, mitochondrial	reviewed	Epigenetic regulator	SIRT3	Inhibition	'='	21	%
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	Ki	'>'	100000	nM
Q96EB6	BXGT019646	NAD-dependent protein deacetylase sirtuin-1	reviewed	Epigenetic regulator	SIRT1	Inhibition	'='	1	%
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	IC50	'='	24560	nM
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	IC50	'='	690	nM
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	Inhibition	-	-	-
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	26	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	12	%
Q8IXJ6	BXGT018362	NAD-dependent protein deacetylase sirtuin-2	reviewed	Epigenetic regulator	SIRT2	Inhibition	'='	58	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02978	Tetradium ruticarpum	Tetradium ruticarpum	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}