acompound

Showing entry for Ungeremine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0029548
Compound Name	Ungeremine
Structure
Formula	C16H11NO3
InchiKey	DFQOXFIPAAMFAU-UHFFFAOYSA-N
SMILES	O=c1cc2CCn3c2c(c1)c1cc2OCOc2cc1c3
Inchi	InChI=1S/C16H11NO3/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17/h3-7H,1-2,8H2
IUPAC
Molecular Weight	265.07
Pubchem Id	3738100
Chembl Id	CHEMBL479291

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	BXGT007697	DNA topoisomerase 2-alpha	reviewed		TOP2A	-	25800	-	-
reviewed	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	-	6100	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	3850	-	-

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
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Inhibition	-	-	-
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	3850	nM
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	IC50	'='	25800	nM
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	IC50	'='	6100	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01038	Eupatorium laevigatum	Eupatorium laevigatum	Medicinal Plant
BXGF01150	Viburnum lantana	Viburnum lantana	Medicinal Plant
BXGF01458	Ligularia altaica	Ligularia altaica	Others
BXGF01703	Dalbergia candenatensis	Dalbergia candenatensis	Medicinal Plant
BXGF01769	Artemisia juncea	Artemisia juncea	Others
BXGF02952	Hesperocyparis arizonica	Hesperocyparis arizonica	Others
BXGF03222	Ungernia minor	Ungernia minor	Medicinal Plant
BXGF04493	Lycoris radiata	Lycoris radiata	Medicinal Plant
BXGF05126	Crotalaria crispata	Crotalaria crispata	Medicinal Plant
BXGF05299	Corynandra viscosa	Corynandra viscosa	Medicinal Plant
BXGF06163	Atriplex parvifolia	Atriplex parvifolia	Others
BXGF06231	Haplopappus deserticola	Haplopappus deserticola	Medicinal Plant
BXGF06260	Dryopteris dilatata	Dryopteris dilatata	Medicinal Plant
BXGF06311	Crinum asiaticum	Crinum asiaticum	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}