| 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: |
DBP3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7127±0.00898026 |
| Normalized OD Score: sc h |
1.0002±0.00186734 |
| Z-Score: |
0.0095±0.0964972 |
| p-Value: |
0.945602 |
| Z-Factor: |
-7.87522 |
| Fitness Defect: |
0.0559 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 23|E11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.30 Celcius | | Date: | 2007-09-13 YYYY-MM-DD | | Plate CH Control (+): | 0.0403±0.00063 | | Plate DMSO Control (-): | 0.7038500000000001±0.01459 | | Plate Z-Factor: | 0.9347 |
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ps
pdf |
| 5317881 |
(8E)-1-oxacycloheptadec-8-en-2-one |
| 5318312 |
[(3S,6aR,8aR,12S,14bR)-4,4,4a,6a,6b,8a,11,12,14b-nonamethyl-1,2,3,5,6,7,8,9,10,11,12,12a,14,14a-tetradec
ahydropicen-3-yl] dodecanoate |
| 5318316 |
[(3S,6aR,8aR,14bR)-4,4,4a,6a,6b,8a,11,11,14b-nonamethyl-2,3,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-pi
cen-3-yl] dodecanoate |
| 5318340 |
[(3S,6aR,8aR,12S,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecah
ydro-1H-picen-3-yl] tetradecanoate |
| 5318351 |
[(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] tetradecanoate |
| 5318360 |
[(3S,6aR,8aR,12S,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecah
ydro-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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