acompound

Showing entry for palmarumycin CP(1)

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045236
Compound Name	palmarumycin CP(1)
Structure
Formula	C20H12O4
InchiKey	LVOXAJYEGVDSQA-UHFFFAOYSA-N
SMILES	O=C1C=CC2(c3c1c(O)ccc3)Oc1cccc3c1c(O2)ccc3
Inchi	InChI=1S/C20H12O4/c21-14-7-3-6-13-19(14)15(22)10-11-20(13)23-16-8-1-4-12-5-2-9-17(24-20)18(12)16/h1-11,21H
IUPAC
Molecular Weight	316.07
Pubchem Id	196959
Chembl Id	CHEMBL88230

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	BXGT017620	Thioredoxin reductase 3	reviewed	Enzyme	TXNRD3	-	350	-	-
reviewed	BXGT017620	Thioredoxin reductase 3	reviewed	Enzyme	TXNRD3	-	12000	-	-

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
Q86VQ6	BXGT017620	Thioredoxin reductase 3	reviewed	Enzyme	TXNRD3	IC50	'='	12000	nM
Q9NNW7	BXGT021139	Thioredoxin reductase 2, mitochondrial	reviewed	Enzyme	TXNRD2	IC50	'='	12000	nM
Q16881	BXGT013688	Thioredoxin reductase 1, cytoplasmic	reviewed	Enzyme	TXNRD1	IC50	'='	12000	nM
Q86VQ6	BXGT017620	Thioredoxin reductase 3	reviewed	Enzyme	TXNRD3	IC50	'='	350	nM
Q9NNW7	BXGT021139	Thioredoxin reductase 2, mitochondrial	reviewed	Enzyme	TXNRD2	IC50	'='	350	nM
Q16881	BXGT013688	Thioredoxin reductase 1, cytoplasmic	reviewed	Enzyme	TXNRD1	IC50	'='	350	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03689	Jatropha curcas	Jatropha curcas	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}