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: |
APC9 |
Replicates: |
2 |
Raw OD Value: r im |
0.6829±0.0119501 |
Normalized OD Score: sc h |
0.9728±0.00667606 |
Z-Score: |
-1.4771±0.340414 |
p-Value: |
0.151068 |
Z-Factor: |
-9.95038 |
Fitness Defect: |
1.89 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 4|H6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 21.60 Celcius | Date: | 2007-11-22 YYYY-MM-DD | Plate CH Control (+): | 0.042025±0.00108 | Plate DMSO Control (-): | 0.679925±0.04700 | Plate Z-Factor: | 0.6990 |
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620523 |
[3-acetyloxy-10,13-dimethyl-17-(6-methyl-5-oxo-heptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecah ydro-1H-cyclopenta[a]phenanthren-12-yl] acetate |
621344 |
n/a |
623382 |
n/a |
623491 |
(6b-formyl-4,4a,6a,8a,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen- 3-yl) acetate |
624245 |
[5-[2-(2,2-dimethyl-5-oxo-cyclopentyl)ethyl]-4a-methyl-6-oxo-decalin-2-yl] acetate |
630983 |
[3-acetyloxy-10,13-dimethyl-17-(5-oxopentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cy clopenta[a]phenanthren-11-yl] acetate |
internal high similarity DBLink | Rows returned: 10 | << Back 1 2 |
active | Cluster 9057 | Additional Members: 1 | Rows returned: 0 | |
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