acompound

Showing entry for evodiamine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0018046
Compound Name	evodiamine
Structure
Formula	C19H17N3O
InchiKey	TXDUTHBFYKGSAH-SFHVURJKSA-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-/m0/s1
IUPAC
Molecular Weight	303.14
Pubchem Id	442088
Chembl Id	CHEMBL463165

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
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	Inhibition	-	-	-
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Inhibition	-	-	-
Q9NTG7	BXGT021211	NAD-dependent protein deacetylase sirtuin-3, mitochondrial	reviewed	Epigenetic regulator	SIRT3	Inhibition	'='	20	%
Q8IXJ6	BXGT018362	NAD-dependent protein deacetylase sirtuin-2	reviewed	Epigenetic regulator	SIRT2	Inhibition	'='	71	%
Q96EB6	BXGT019646	NAD-dependent protein deacetylase sirtuin-1	reviewed	Epigenetic regulator	SIRT1	Inhibition	'='	4	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01782	Hesperocyparis goveniana var. abramsiana	Hesperocyparis goveniana var. abramsiana	Others
BXGF02357	Euodia bodinieri	Euodia bodinieri	Others
BXGF02978	Tetradium ruticarpum	Tetradium ruticarpum	Medicinal Plant
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03757	Tylophora asthmatica	Tylophora asthmatica	Medicinal Plant
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others
BXGF05173	Dendrobium nobile	Dendrobium nobile	Medicinal Plant
BXGF05356	Euodia officinalis	Euodia officinalis	Others
BXGF06002	Euodia ruticarpa	Euodia ruticarpa	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}