Compound Information | SONAR Target prediction | Name: | ECHINOCYSTIC ACID | Unique Identifier: | SPE01800123 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 424.319 g/mol | X log p: | 0.342 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 1 | Canonical Smiles: | CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C(O)=O | Class: | triterpene | Source: | Echinocystis spp | Reference: | J Am Chem Soc 77: 3579 (1955); 79: 3525 (1957) |
Species: |
4932 |
Condition: |
SPE01502253 |
Replicates: |
2 |
Raw OD Value: r im |
0.2813±0.0274357 |
Normalized OD Score: sc h |
0.6069±0.0206673 |
Z-Score: |
-10.2877±1.58049 |
p-Value: |
2.36154e-20 |
Z-Factor: |
-6.09278 |
Fitness Defect: |
45.1924 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SpectrumTMP | Plate Number and Position: | 2|H4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 0.00 Celcius | Date: | 2007-01-17 YYYY-MM-DD | Plate CH Control (+): | 0.26445±0.00954 | Plate DMSO Control (-): | 0.530225±1.70956 | Plate Z-Factor: | 0.9176 |
| png ps pdf |
6325872 |
(4aR,6aS,6aS,6bR,8aR,10S,12aR,14bR)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8, 8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
6453034 |
(4aR,5S,6aS,6aS,6bR,10S,12aS,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,1 1,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
6708654 |
(4aR,5S,6aS,6bR,10S,12aS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,1 4b-tetradecahydropicene-4a-carboxylic acid |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 1623 | Additional Members: 8 | Rows returned: 4 | |
|