| Compound Information | SONAR Target prediction | | Name: | METHYL ORSELLINATE | | Unique Identifier: | SPE00210925 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C9H10O4 | | Molecular Weight: | 172.094 g/mol | | X log p: | (online calculus) | | Lipinksi Failures | | | TPSA | | | Hydrogen Bond Donor Count: | | | Hydrogen Bond Acceptors Count: | | | Rotatable Bond Count: | | | Canonical Smiles: | COC(=O)c1c(C)cc(O)cc1O | | Class: | aromatic | | Source: | lichens and lichen acids | | Reference: | Ber 56: 2556 (1923); JACS 88: 2053 (1966); Tetrahedron 24: 2707 (1968); J Chem Soc
1984: 1035,1043 |
| Species: |
4932 |
| Condition: |
LAT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6664±0.00749533 |
| Normalized OD Score: sc h |
0.9871±0.0159872 |
| Z-Score: |
-0.6655±0.827191 |
| p-Value: |
0.573482 |
| Z-Factor: |
-8.53282 |
| Fitness Defect: |
0.556 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 25|D2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.40 Celcius | | Date: | 2008-04-23 YYYY-MM-DD | | Plate CH Control (+): | 0.040749999999999995±0.00090 | | Plate DMSO Control (-): | 0.6633±0.00875 | | Plate Z-Factor: | 0.9464 |
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| DBLink | Rows returned: 0 | |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 13178 | Additional Members: 8 | Rows returned: 6 | |
|
