| Compound Information | SONAR Target prediction |
| Name: | HAEMATOMMIC ACID, ETHYL ESTER |
| Unique Identifier: | SPE00205071 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 212.115 g/mol |
| X log p: | 5.229 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 43.37 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | CCOC(=O)c1c(C)cc(O)c(C=O)c1O |
| Class: | aromatic |
| Source: | various lichens, e.g. Evernia spp, Parmelia spp |
| Reference: | J Org Chem 42: 2526 (1977); Helv Chim Acta 72: 1061 (1989) |
| Found: 201 active | as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [201] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.4171±0.0204354 |
| Normalized OD Score: sc h | 0.5934±0.0210397 |
| Z-Score: | -21.5886±0.642364 |
| p-Value: | 0 |
| Z-Factor: | 0.760376 |
| Fitness Defect: | INF |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 1 |
| 3940691 | ethyl 3-formyl-2,4-dihydroxy-6-methyl-benzoate |
| internal high similarity DBLink | Rows returned: 1 |
| SPE00210072 | 0.9467 |
| active | Cluster 3139 | Additional Members: 3 | Rows returned: 1 |
| SPE01400131 | 0 |
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