Molecule

Erythromycin

AlkaPlorer ID: AK297865

Synonym: Erythrocin, Erythromycin A, Ilotycin

IUPAC Name: 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

Structure

SMILES: CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O

InChI: InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3

InChIKey: ULGZDMOVFRHVEP-UHFFFAOYSA-N

Reference

Production of Erythromycin E by Pathogenic Nocardia brasiliensis.

PubChem CID: 3255

CAS: 1025065-69-3

LOTUS: LTS0172645

COCONUT: CNP0277540.14

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Bacillus	Bacillidae	Phasmatodea	Insecta	Arthropoda	Metazoa	Eukaryota
Arthrobacter sp.	Arthrobacter	Micrococcaceae	Micrococcales	Actinomycetes	Actinomycetota	None	Bacteria
Nocardia sp.	Nocardia	Nocardiaceae	Mycobacteriales	Actinomycetes	Actinomycetota	None	Bacteria
None	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Saccharopolyspora erythraea	Saccharopolyspora	Pseudonocardiaceae	Pseudonocardiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 733.9370000000002

TPSA？: 193.91

MolLogP？: 1.785600000000004

Number of H-Donors: 5

Number of H-Acceptors: 14

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	HERG	IC50	72443.6	nM	10.1016/j.ejmech.2010.11.042
None	NON-PROTEIN TARGET	Potency	0.9	nM	None
None	NON-PROTEIN TARGET	Potency	4213.5	nM	None
None	NON-PROTEIN TARGET	Potency	4727.7	nM	None
None	NON-PROTEIN TARGET	Potency	8407.1	nM	None