acompound

Showing entry for cycleanine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034235
Compound Name	cycleanine
Structure
Formula	C38H42N2O6
InchiKey	ANOXEUSGZWSCQL-LOYHVIPDSA-N
SMILES	COc1c(OC)cc2c3c1Oc1ccc(cc1)C[C@H]1N(C)CCc4c1c(Oc1ccc(C[C@H]3N(CC2)C)cc1)c(c(c4)OC)OC
Inchi	InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1
IUPAC
Molecular Weight	622.3
Pubchem Id	121313
Chembl Id	CHEMBL443389

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	BXGT010083	Trypanothione reductase	reviewed		TPR	-	303000	-	-

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02810	Passiflora coccinea	Passiflora coccinea	Human Edible Plant
BXGF03535	Horsfieldia iryaghedhi	Horsfieldia iryaghedhi	Others
BXGF03642	Karwinskia subcordata	Karwinskia subcordata	Others
BXGF03651	Medicago hispida	Medicago hispida	Human Edible Plant
BXGF03673	Maytenus octogona	Maytenus octogona	Others
BXGF03728	Agathosma bisulca	Agathosma bisulca	Others
BXGF03759	Stephania glabra	Stephania glabra	Medicinal Plant
BXGF03775	Brickellia dentata	Brickellia dentata	Others
BXGF03808	Hymenoxys ivesiana	Hymenoxys ivesiana	Others
BXGF04892	Achyrocline satureioides	Achyrocline satureioides	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}