| 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: |
SPO22 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3394±0.0142128 |
| Normalized OD Score: sc h |
1.0073±0.0116552 |
| Z-Score: |
0.0892±0.141671 |
| p-Value: |
0.92052 |
| Z-Factor: |
-35.2944 |
| Fitness Defect: |
0.0828 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 23|E11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 0.00 Celcius | | Date: | 2006-05-12 YYYY-MM-DD | | Plate CH Control (+): | 0.03905±0.00236 | | Plate DMSO Control (-): | 0.32245±0.02156 | | Plate Z-Factor: | 0.7610 |
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ps
pdf |
| 94812 |
pentyl octadec-9-enoate |
| 100624 |
dodecyl octadec-9-enoate |
| 106863 |
bis(2-ethylhexyl) 2-[3-(1-cyclohex-2-enyl)propyl]-3-hexyl-hexanedioate |
| 165382 |
[(3S,6aR,6bS,8aR,12aS,14aS,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-t
etradecahydropicen-3-yl] hexadecanoate |
| 180276 |
[(3S,6aR,6bS,8aR,11R,12S,12aS,14aS,14bS)-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] tetratriacontanoate |
| 185477 |
[(3S,6aR,6bS,8aR,11R,12S,12aS,14aS,14bS)-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] hexadecanoate |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 983 | Additional Members: 1 | Rows returned: 0 | |
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