Molecule

ML-449

AlkaPlorer ID: AK326382

Synonym: None

IUPAC Name: (3E,5E,7E,11E,13E,15E,17E)-9,10-dihydroxy-7,15-dimethyl-20-[(2E,4E)-octa-2,4-dienyl]-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one

Structure

SMILES: CCC/C=C/C=C/CC1C/C=C/C=C(C)/C=C/C=C/C(O)C(O)/C=C(C)/C=C/C=C/C(O)=N1

InChI: InChI=1S/C29H39NO3/c1-4-5-6-7-8-9-19-26-20-13-10-16-24(2)17-11-14-21-27(31)28(32)23-25(3)18-12-15-22-29(33)30-26/h6-18,21-23,26-28,31-32H,4-5,19-20H2,1-3H3,(H,30,33)/b7-6+,9-8+,13-10+,17-11+,18-12+,21-14+,22-15+,24-16+,25-23+

InChIKey: QUZNSWBEDCHESP-KLYFDHOZSA-N

Reference

Insights into the Evolution of Macrolactam Biosynthesis through Cloning and Comparative Analysis of the Biosynthetic Gene Cluster for a Novel Macrocyclic Lactam, ML-449

PubChem CID: 102169033

LOTUS: LTS0132641

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NPAtlas: NPA020379

Source

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

Properties Information

Molecule Weight: 449.6350000000001

TPSA？: 73.05

MolLogP？: 6.41320000000001

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi