acompound

Showing entry for Squamocin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053474
Compound Name	Squamocin
Structure
Formula	C37H66O7
InchiKey	DAEFUOXKPZLQMM-AUDZWCKFSA-N
SMILES	CCCCCC[C@@H](CCC[C@@H]([C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@@H](OC1=O)C)O)O)O
Inchi	InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32-,33+,34+,35+,36+/m0/s1
IUPAC	(2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
Molecular Weight	622.48
Pubchem Id	441612
Chembl Id	CHEMBL41177

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	BXGT009061	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	reviewed		NDUFV1	-	0.59	-	-

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
P52505	BXGT010931	Acyl carrier protein, mitochondrial	reviewed	-	NDUFAB1	IC50	'='	0	nM
P25708	BXGT009061	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	reviewed	-	NDUFV1	IC50	'='	0	nM
P52505	BXGT010931	Acyl carrier protein, mitochondrial	reviewed	-	NDUFAB1	Relative potency	'='	2	-
P25708	BXGT009061	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	reviewed	-	NDUFV1	Relative potency	'='	2	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02488	Uvaria chamae	Uvaria chamae	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}