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: |
SSB2 |
Replicates: |
2 |
Raw OD Value: r im |
0.5549±0.0346482 |
Normalized OD Score: sc h |
0.7925±0.0472056 |
Z-Score: |
-11.4025±2.61387 |
p-Value: |
6.22512e-22 |
Z-Factor: |
-0.0939096 |
Fitness Defect: |
48.8283 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 9|F8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.00 Celcius | Date: | 2008-05-29 YYYY-MM-DD | Plate CH Control (+): | 0.040425±0.00045 | Plate DMSO Control (-): | 0.68545±0.01763 | Plate Z-Factor: | 0.9175 |
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5316136 |
(1S,2R,4aS,6aS,6bR,10R,12aS,14bR)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,1 2,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
6475119 |
(1S,2R,4aS,6aS,6aS,6bR,8aS,10S,12aS,14bR)-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 |
6708573 |
(4aS,6aS,6bR,10R,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 |
6708806 |
(2R,4aS,6aS,6bR,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-tet radecahydro-1H-picene-4a-carboxylic acid |
16039618 |
(6aR,6aS,8aR,10S)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetrade cahydropicene-4a-carboxylic acid |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 1623 | Additional Members: 8 | Rows returned: 4 | |
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