| Compound Information | SONAR Target prediction | | Name: | OLEANANOIC ACID ACETATE | | Unique Identifier: | SPE00240871 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C32H52O4 | | Molecular Weight: | 448.34 g/mol | | X log p: | 0.014 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 43.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4CC(C)(C)CCC4(CCC23C)C(O)=O)C1(C)C | | Source: | ex Machaerium kuhlmannii and Helichrysum chrysargyrum | | Reference: | Phytochemistry 18: 1375 (1979) |
| Species: |
4932 |
| Condition: |
HXT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6949±0.00876812 |
| Normalized OD Score: sc h |
0.9779±0.000497484 |
| Z-Score: |
-1.1647±0.0489043 |
| p-Value: |
0.244416 |
| Z-Factor: |
-23.6505 |
| Fitness Defect: |
1.4089 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|H6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.20 Celcius | | Date: | 2007-11-27 YYYY-MM-DD | | Plate CH Control (+): | 0.040625±0.00042 | | Plate DMSO Control (-): | 0.6957±0.04660 | | Plate Z-Factor: | 0.7240 |
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ps
pdf |
| 2754269 |
methyl
(4S)-4-[(3R,5R,10S,12S,13R,17R)-3,12-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetrad
ecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| 2755046 |
(3S)-5-[(1R,2R,8aR)-2-acetyloxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoic acid |
| 2755048 |
methyl (3S)-5-[(1R,2R,8aR)-2-acetyloxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoate |
| 2825516 |
(10,13-dimethyl-1-oxo-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)
acetate |
| 2825571 |
1-[(5S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17
-yl]ethyl acetate |
| 3022911 |
ethyl 8-acetyloxyoctanoate |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 9057 | Additional Members: 1 | Rows returned: 0 | |
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