Compound Information | SONAR Target prediction | Name: | DIHYDROCELASTROL | Unique Identifier: | SPE01504082 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 412.308 g/mol | X log p: | 3.904 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 1 | Canonical Smiles: | Cc1c(O)c(O)cc2c1CC=C1C2(C)CCC2(C)C3CC(C)(CCC3(C)CCC12C)C(O)=O | Class: | triterpene | Source: | celastrol derivative | Reference: | J Org Chem 30: 1729 (1965) |
Species: |
4932 |
Condition: |
PEP5 |
Replicates: |
2 |
Raw OD Value: r im |
0.2489±0.0403758 |
Normalized OD Score: sc h |
0.3610±0.0611639 |
Z-Score: |
-35.3910±2.60498 |
p-Value: |
0 |
Z-Factor: |
0.607148 |
Fitness Defect: |
INF |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 22|G5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.70 Celcius | Date: | 2008-08-14 YYYY-MM-DD | Plate CH Control (+): | 0.050375±0.00090 | Plate DMSO Control (-): | 0.6744999999999999±0.01481 | Plate Z-Factor: | 0.9082 |
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DBLink | Rows returned: 2 | |
5029154 |
10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid |
6708673 |
(2R,4aR,6aS,6aR,14aS)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picen e-2-carboxylic acid |
internal high similarity DBLink | Rows returned: 1 | |
nonactive | Cluster 3682 | Additional Members: 3 | Rows returned: 2 | |
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