Pentaminomycin B
AlkaPlorer ID: AK047629
Synonym: None
IUPAC Name: 1-hydroxy-1-[3-[(2S,5R,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-5,8-bis(2-methylpropyl)-3,6,9,12,15-pentaoxo-11-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@@H](CC(C)C)N=C(O)[C@H](CCCN(O)C(=N)N)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@@H](C(C)C)N=C1O
InChI: InChI=1S/C34H53N9O6/c1-18(2)14-25-30(45)40-26(15-19(3)4)32(47)42-28(20(5)6)33(48)41-27(16-21-17-37-23-11-8-7-10-22(21)23)31(46)38-24(29(44)39-25)12-9-13-43(49)34(35)36/h7-8,10-11,17-20,24-28,37,49H,9,12-16H2,1-6H3,(H3,35,36)(H,38,46)(H,39,44)(H,40,45)(H,41,48)(H,42,47)/t24-,25+,26-,27-,28+/m0/s1
InChIKey: PSSGFWIIEZXSSX-IEAFHPEVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 683.8550000000001
TPSA？: 252.08
MolLogP？: 5.462570000000006
Number of H-Donors: 9
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | MIC | 16.0 | ug.mL-1 | 10.1021/acs.jnatprod.0c01199 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/acs.jnatprod.0c01199 |
| Homo sapiens | HeLa | Activity | nan | None | 10.1021/acs.jnatprod.7b00882 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Activity | nan | None | 10.1021/acs.jnatprod.0c01199 |
| Mus musculus | 4T1 | Activity | nan | None | 10.1021/acs.jnatprod.7b00882 |
| Mus musculus | B16-F0 | Activity | nan | None | 10.1021/acs.jnatprod.7b00882 |
| Mus musculus | B16-F10 | Activity | nan | None | 10.1021/acs.jnatprod.7b00882 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/acs.jnatprod.0c01199 |