Molecule

A-83094A

AlkaPlorer ID: AK000175

Synonym: 'A-83094A', 'Iso-16-deethylindanomycin', '16-Deethylindanomycin', 'A83094A'

IUPAC Name: (2R)-2-[(5S,6R)-5-methyl-6-[(3E,5E)-6-[(4S,5R)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]oxan-2-yl]propanoic acid

Structure

SMILES: CC/C(=C\C=C\[C@H]1C=CC2CCCC2[C@@H]1C(=O)C1=CC=CN1)[C@@H]1OC([C@@H](C)C(=O)O)CC[C@@H]1C

InChI: InChI=1S/C29H39NO4/c1-4-20(28-18(2)13-16-25(34-28)19(3)29(32)33)8-5-10-22-15-14-21-9-6-11-23(21)26(22)27(31)24-12-7-17-30-24/h5,7-8,10,12,14-15,17-19,21-23,25-26,28,30H,4,6,9,11,13,16H2,1-3H3,(H,32,33)/b10-5+,20-8+/t18-,19+,21?,22-,23?,25?,26+,28+/m0/s1

InChIKey: HSZFOQSMGNAIJM-OADNEHLQSA-N

Reference

16-Deethylindanomycin (A83094A), a novel pyrrole-ether antibiotic produced by a strain of Streptomyces setonii. Taxonomy, fermentation, isolation and characterization.

PubChem CID: 162932706

LOTUS: LTS0114289

Source

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

Properties Information

Molecule Weight: 465.6340000000001

TPSA？: 79.39

MolLogP？: 6.212900000000007

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi