| Compound Information | SONAR Target prediction |
| Name: | ERYTHROMYCIN STEARATE |
| Unique Identifier: | SPE01500281 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C57H107NO15 |
| Molecular Weight: | 938.608 g/mol |
| X log p: | -2.678 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 92.76 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 14 |
| Rotatable Bond Count: | 7 |
| Canonical Smiles: | CCCCCCCCCCCCCCCCCCCC(O)=O.CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C (OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O |
| Source: | ex Streptomyces erythreus |
| Therapeutics: | antibacterial |
| Found: 101 nonactive as graph: single | with analogs | [1] << Back 91 92 93 94 95 96 97 98 99 100 Next >> [101] |
| Species: | 4932 |
| Condition: | VPS1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6256±0.0135057 |
| Normalized OD Score: sc h | 0.9827±0.0161757 |
| Z-Score: | -0.6756±0.61862 |
| p-Value: | 0.538696 |
| Z-Factor: | -6.55794 |
| Fitness Defect: | 0.6186 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 36 | << Back 1 2 3 4 5 6 Next >> |
| 83991 | (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14 -ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13- hexamethyl-1-oxacyclotetradecane-2,10-dione dihydrate |
| 84021 | (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14 -ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13- hexamethyl-1-oxacyclotetradecane-2,10-dione; hexadecanoic acid |
| 86475 | (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14 -ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13- hexamethyl-1-oxacyclotetradecane-2,10-dione hydrochloride |
| 86487 | carbonic acid; (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14 -ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13- hexamethyl-1-oxacyclotetradecane-2,10-dione |
| 88122 | (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14 -ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13- hexamethyl-1-oxacyclotetradecane-2,10-dione hydrate |
| 102534 | 14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-6-(3-hydroxy-6-methyl-4-me thylamino-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione |
| internal high similarity DBLink | Rows returned: 1 |
| SPE01504231 | 0.9604 |
| active | Cluster 14145 | Additional Members: 11 | Rows returned: 1 |
| SPE01501176 | 0.195652173913043 |
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