Compound Information | SONAR Target prediction | Name: | HEDERAGENIN | Unique Identifier: | SPE01504016 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 424.319 g/mol | X log p: | 1.012 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 2 | Canonical Smiles: | CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1)C(O)=O | Class: | triterpene | Source: | Clematis, Hedera spp |
Species: |
4932 |
Condition: |
MCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6040±0.0039598 |
Normalized OD Score: sc h |
1.0059±0.0165756 |
Z-Score: |
0.2772±0.725179 |
p-Value: |
0.62165 |
Z-Factor: |
-10.5572 |
Fitness Defect: |
0.4754 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 5|H11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.70 Celcius | Date: | 2007-11-13 YYYY-MM-DD | Plate CH Control (+): | 0.039875±0.00072 | Plate DMSO Control (-): | 0.593075±0.07093 | Plate Z-Factor: | 0.5650 |
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73299 |
(4aS,6aS,6aS,6bR,8aR,9R,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-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 |
190461 |
(4aS,6aS,6aS,6bR,9S,10R,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-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 |
258538 |
10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahyd ropicene-4a-carboxylic acid |
470600 |
(4aS,6aS,6bR,10S,12aR)-10-hydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,1 0,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
3010928 |
(1S,2R,4aS,6aS,6bR,9S,10S,12aR)-10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8 ,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
5317975 |
(4aS,6bR,9R,12aR)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,1 3,14b-tetradecahydropicene-4a-carboxylic acid |
internal high similarity DBLink | Rows returned: 6 | |
active | Cluster 1623 | Additional Members: 8 | Rows returned: 4 | |
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