Molecule

Celesticetin

AlkaPlorer ID: AK017389

Synonym: 'Celesticetin'

IUPAC Name: 2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate

Structure

SMILES: CO[C@H](C)[C@@H](N=C(O)[C@@H]1CCCN1C)[C@@H]1O[C@@H](SCCOC(=O)C2=CC=CC=C2O)[C@@H](O)[C@H](O)[C@H]1O

InChI: InChI=1S/C24H36N2O9S/c1-13(33-3)17(25-22(31)15-8-6-10-26(15)2)21-19(29)18(28)20(30)24(35-21)36-12-11-34-23(32)14-7-4-5-9-16(14)27/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31)/t13-,15+,17-,18-,19-,20+,21+,24+/m1/s1

InChIKey: VMSQKUCYEMOKMM-HUQJOJSCSA-N

Reference

Isolation, purification and partial characterization of antibacterial activities produced by a newly isolated Streptomyces sp. US24 strain

PubChem CID: 5464476

LOTUS: LTS0118400

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces caelestis	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 528.6240000000003

TPSA？: 161.51

MolLogP？: 0.5439999999999998

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi