| Compound Information | SONAR Target prediction | | Name: | OLEANOLIC ACID ACETATE | | Unique Identifier: | SPE00102058 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 448.34 g/mol | | X log p: | 1.523 (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)C2CC=C2C4CC(C)(C)CCC4(CCC23C)C(O)=O)C1(C)C | | Class: | triterpene | | Source: | birch bark | | Reference: | J Chem Soc 1939: 1047 |
| Species: |
4932 |
| Condition: |
DOA4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5476±0.0121622 |
| Normalized OD Score: sc h |
0.8403±0.0153852 |
| Z-Score: |
-6.3291±0.451467 |
| p-Value: |
0.00000000094316 |
| Z-Factor: |
0.0802202 |
| Fitness Defect: |
20.7818 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|F8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.70 Celcius | | Date: | 2008-05-02 YYYY-MM-DD | | Plate CH Control (+): | 0.040025±0.00058 | | Plate DMSO Control (-): | 0.638925±0.01958 | | Plate Z-Factor: | 0.8635 |
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ps
pdf |
| 151202 |
(4aS,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11
,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| 470642 |
(4aS,6aS,6bR,10S,12aS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-te
tradecahydropicene-4a-carboxylic acid |
| 619164 |
10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-
4a-carboxylic acid |
| 619165 |
10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-c
arboxylic acid |
| 3084011 |
(1S,2R,6aS,6aS,6bR,8aS,12aS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,
14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| 5315977 |
(4aS,6bR,10S,12aS,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-t
etradecahydropicene-4a-carboxylic acid |
| internal high similarity DBLink | Rows returned: 2 | |
| nonactive | Cluster 1623 | Additional Members: 8 | Rows returned: 6 | |
|
