None
AlkaPlorer ID: AK324346
Synonym: None
IUPAC Name: None
Structure
SMILES: CO[C@H]1[C@H](O[C@H]([C@H]2O[C@@H](N3C=CC(O)=NC3=O)[C@H](O)[C@@H]2O)[C@H](NCCCN=C(O)[C@@H](N=C(O)[C@@H](NC(O)=N[C@H](C(=O)O)C(C)C)[C@@H]2CCNC(=N)N2)[C@@H](O)C(C)C)C(=O)O)O[C@H](CN=C(C)O)[C@H]1O
InChI: InChI=1S/C40H65N11O18/c1-15(2)21(35(60)61)49-39(64)50-22(18-8-12-44-38(41)46-18)33(59)48-23(25(54)16(3)4)32(58)43-11-7-10-42-24(36(62)63)29(69-37-31(66-6)26(55)19(67-37)14-45-17(5)52)30-27(56)28(57)34(68-30)51-13-9-20(53)47-40(51)65/h9,13,15-16,18-19,21-31,34,37,42,54-57H,7-8,10-12,14H2,1-6H3,(H,43,58)(H,45,52)(H,48,59)(H,60,61)(H,62,63)(H3,41,44,46)(H,47,53,65)(H2,49,50,64)/t18-,19+,21-,22-,23-,24-,25-,26+,27-,28+,29-,30-,31+,34+,37-/m0/s1
InChIKey: ZLESIXPPLUNLCM-YUSYNUEUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. NRRL 30471 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 988.019
TPSA？: 449.89
MolLogP？: -3.3704300000000065
Number of H-Donors: 16
Number of H-Acceptors: 20
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aquifex aeolicus (strain VF5) | Phospho-N-acetylmuramoyl-pentapeptide-transferase | IC50 | 1.8 | 10'3pM | 10.1021/acs.jnatprod.7b01054 |
| Escherichia coli | Escherichia coli | MIC | 16.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b01054 |
| Escherichia coli | Escherichia coli | MIC | 256.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b01054 |
| Staphylococcus aureus | Phospho-N-acetylmuramoyl-pentapeptide-transferase | IC50 | 0.093 | nM | 10.1021/acs.jnatprod.7b01054 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 32.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b01054 |