| 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: |
SPE00210369 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5149±0.0238295 |
| Normalized OD Score: sc h |
0.8573±0.0382546 |
| Z-Score: |
-6.0037±2.12062 |
| p-Value: |
0.00000333178 |
| Z-Factor: |
-0.662752 |
| Fitness Defect: |
12.612 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 2|H4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.50 Celcius | | Date: | 2006-12-20 YYYY-MM-DD | | Plate CH Control (+): | 0.04165±0.00188 | | Plate DMSO Control (-): | 0.5862±0.02961 | | Plate Z-Factor: | 0.8221 |
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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 | |
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