acompound

Showing entry for Pyropheophorbide A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025619
Compound Name	Pyropheophorbide A
Structure
Formula	C33H34N4O3
InchiKey	IEGUQQKIFBYXLG-CDIXLCFRSA-N
SMILES	CCC1=C(C)C2=N/C/1=C\c1[nH]c3c(c1C)C(=O)C/C/3=C\1/N=C(/C=c/3\[nH]/c(=C\2)/c(C=C)c3C)[C@H]([C@@H]1CCC(=O)O)C
Inchi	InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-/t17-,21-
IUPAC
Molecular Weight	534.26
Pubchem Id
Chembl Id	CHEMBL520220

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

n.a

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

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
P24095	BXGT008947	Seed linoleate 9S-lipoxygenase	reviewed	-	LOX1.4	Inhibition	'='	15	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01220	Hypericum scabrum	Hypericum scabrum	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}