acompound

Showing entry for Dicentrine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0021731
Compound Name	Dicentrine
Structure
Formula	C20H21NO4
InchiKey	YJWBWQWUHVXPNC-AWEZNQCLSA-N
SMILES	COc1cc2c(cc1OC)C[C@H]1c3c2c2OCOc2cc3CCN1C
Inchi	InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
IUPAC
Molecular Weight	339.15
Pubchem Id	101300
Chembl Id	CHEMBL464748

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	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	-	>50000	-	-

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
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	IC50	'>'	50000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01476	Stephania tetrandra	Stephania tetrandra	Medicinal Plant
BXGF01549	Sinomenium acutum	Sinomenium acutum	Medicinal Plant
BXGF02346	Piper sylvaticum	Piper sylvaticum	Medicinal Plant
BXGF03299	Helichrysum fulvum	Helichrysum fulvum	Others
BXGF03531	Avena fatua	Avena fatua	Medicinal Plant
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}