acompound

Showing entry for Predicentrine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0033674
Compound Name	Predicentrine
Structure
Formula	C20H23NO4
InchiKey	OUTYMWDDJORZOH-AWEZNQCLSA-N
SMILES	COc1cc2c(cc1OC)C[C@H]1c3c2c(OC)c(O)cc3CCN1C
Inchi	InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
IUPAC	(6aS)-1,9,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2-ol
Molecular Weight	341.16
Pubchem Id	10042942
Chembl Id	CHEMBL404136

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	BXGT011367	D(2) dopamine receptor	reviewed		Drd2	760	-	-	-
reviewed	BXGT008440	D(1A) dopamine receptor	reviewed		Drd1	240	-	-	-

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
P61169	BXGT011367	D(2) dopamine receptor	reviewed	-	Drd2	Ki	'='	760	nM
P18901	BXGT008440	D(1A) dopamine receptor	reviewed	-	Drd1	Ki	'='	240	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00446	Sugar apple	Annona squamosa	Fruits
BXGF05929	Verbena littoralis	Verbena littoralis	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}