Ikarugamycin; 29-Oxo, N22-Me 

AlkaPlorer ID: AK302328

Synonym: N28-Methyl-30-oxoikarugamycin, N22-Methyl-29-oxoikarugamycin, N22-Methylclifednamide A 

IUPAC Name: 11-acetyl-2-hydroxy-10,26-dimethyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione

Structure

SMILES: CC(=O)C1C(C)CC2C1C=CC1C3CC=CC(=O)NCCCC4C(O)=C(C(=O)C=CC3CC12)C(=O)N4C

copy

InChI: InChI=1S/C30H38N2O5/c1-16-14-22-21(27(16)17(2)33)11-10-20-19-6-4-8-26(35)31-13-5-7-24-29(36)28(30(37)32(24)3)25(34)12-9-18(19)15-23(20)22/h4,8-12,16,18-24,27,36H,5-7,13-15H2,1-3H3,(H,31,35)

copy

InChIKey: XNGBJDLMUPRCRQ-UHFFFAOYSA-N

copy

Reference

COCONUT: CNP0351487.2

Properties Information

Molecule Weight: 506.6430000000004

TPSA: 103.78

MolLogP: 3.536400000000002

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information