| Compound Information | SONAR Target prediction | | Name: | AMBRETTOLIDE | | Unique Identifier: | SPE00310003 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C16H28O2 | | Molecular Weight: | 224.17 g/mol | | X log p: | 4.152 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | O=C1CCCCCC=CCCCCCCCCO1 | | Source: | ex Abelmoschus moschatus and bees | | Reference: | Food Cosmet Toxicol 13: 707 (1975) |
| Species: |
4932 |
| Condition: |
PDE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7919±0.00205061 |
| Normalized OD Score: sc h |
1.0034±0.00217467 |
| Z-Score: |
0.1243±0.0829238 |
| p-Value: |
0.901212 |
| Z-Factor: |
-13.127 |
| Fitness Defect: |
0.104 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 23|E11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.10 Celcius | | Date: | 2006-05-11 YYYY-MM-DD | | Plate CH Control (+): | 0.03795±0.00185 | | Plate DMSO Control (-): | 0.7793749999999999±0.01544 | | Plate Z-Factor: | 0.9193 |
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ps
pdf |
| 5318370 |
[(3S,6aR,8aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydrop
icen-3-yl] hexadecanoate |
| 5318378 |
(4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl)
octadecanoate |
| 5319989 |
triacontyl (E)-hexadec-7-enoate |
| 5354230 |
pentyl (E)-octadec-9-enoate |
| 5354342 |
butyl (E)-octadec-9-enoate |
| 5355293 |
(8E)-1-oxacycloheptadec-8-en-17-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 983 | Additional Members: 1 | Rows returned: 0 | |
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