acompound

Showing entry for Atolaphyllidine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028863
Compound Name	Atolaphyllidine
Structure
Formula	C18H15NO4
InchiKey	QMIBOFBCPAGGAC-UHFFFAOYSA-N
SMILES	Oc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c([nH]2)c(O)ccc1
Inchi	InChI=1S/C18H15NO4/c1-18(2)7-6-9-13(23-18)8-12(21)14-16(9)19-15-10(17(14)22)4-3-5-11(15)20/h3-8,20-21H,1-2H3,(H,19,22)
IUPAC	6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
Molecular Weight	309.1
Pubchem Id	5479542
Chembl Id	CHEMBL452220

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	BXGT006445	Cyclin-dependent kinase 1	reviewed	Kinase	CDK1	-	>10000	-	-
reviewed	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	-	>10000	-	-
reviewed	BXGT013385	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	reviewed	Kinase	DYRK1A	-	2200	-	-

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
Q00535	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	IC50	'>'	10000	nM
P49841	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	IC50	'>'	10000	nM
P49840	BXGT010749	Glycogen synthase kinase-3 alpha	reviewed	Kinase	GSK3A	IC50	'>'	10000	nM
P49759	BXGT010734	Dual specificity protein kinase CLK1	reviewed	Kinase	CLK1	IC50	'>='	10000	nM
Q13627	BXGT013385	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	reviewed	Kinase	DYRK1A	IC50	'='	2200	nM
P06493	BXGT006445	Cyclin-dependent kinase 1	reviewed	Kinase	CDK1	IC50	'>'	10000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04485	Atalantia buxifolia	Atalantia buxifolia	Others
BXGF05660	Glycosmis cochinchinensis	Glycosmis cochinchinensis	Human Edible 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}