relomycin
AlkaPlorer ID: AK032618
Synonym: 'Relomycin'
IUPAC Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-7-(2-hydroxyethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
Structure
SMILES: CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CCO)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
InChI: InChI=1S/C46H79NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,18,24-30,32-33,35-45,48,50,52-55H,13,16-17,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1
InChIKey: QDAVFUSCCPXZTE-VMXQISHHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces fradiae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 918.128
TPSA？: 241.83
MolLogP？: 1.6269000000000102
Number of H-Donors: 6
Number of H-Acceptors: 18
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Anaerococcus prevotii | Anaerococcus prevotii | MIC | 8.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Bacteroides fragilis | Bacteroides fragilis | MIC | 4.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Bacteroides fragilis | Bacteroides fragilis | MIC | 8.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Bacteroides thetaiotaomicron | Bacteroides thetaiotaomicron | MIC | 4.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Chlamydia trachomatis | Chlamydia trachomatis | MIC | 1.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Clostridioides difficile | Clostridioides difficile | MIC | 1.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Clostridium perfringens | Clostridium perfringens | MIC | 8.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Clostridium septicum | Clostridium septicum | MIC | 8.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Collinsella aerofaciens | Collinsella aerofaciens | MIC | 1.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Cutibacterium acnes | Cutibacterium acnes | MIC | 8.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Eikenella corrodens | Eikenella corrodens | MIC | 8.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Enterococcus faecium | Enterococcus faecium | MIC | 64.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Fusobacterium | Fusobacterium | MIC | 4.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Fusobacterium necrophorum | Fusobacterium necrophorum | MIC | 1.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Haemophilus influenzae | Haemophilus influenzae | MIC | 128.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Peptoniphilus asaccharolyticus | Peptoniphilus asaccharolyticus | MIC | 1.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Peptostreptococcus anaerobius | Peptostreptococcus anaerobius | MIC | 8.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Phocaeicola vulgatus | Phocaeicola vulgatus | MIC | 8.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Prevotella melaninogenica | Prevotella melaninogenica | MIC | 4.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Prevotella melaninogenica | Prevotella melaninogenica | MIC | 8.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 4.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 4.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 32.0 | ug.mL-1 | 10.1021/jm00403a025 |
| Streptococcus pyogenes | Streptococcus pyogenes | ED50 | 15.4 | mg.kg-1 | 10.1021/jm00403a025 |
| Streptococcus pyogenes | Streptococcus pyogenes | ED50 | 100.0 | mg.kg-1 | 10.1021/jm00403a025 |
| Streptococcus pyogenes | Streptococcus pyogenes | MIC | 2.0 | ug.mL-1 | 10.1021/jm00403a025 |
| None | Unchecked | MIC | 8.0 | ug.mL-1 | 10.1021/jm00403a025 |