Compound Information | SONAR Target prediction | Name: | EMODIN | Unique Identifier: | SPE01500898 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C15H10O5 | Molecular Weight: | 260.158 g/mol | X log p: | 7.787 (online calculus) | Lipinksi Failures | 1 | TPSA | 34.14 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 5 | Rotatable Bond Count: | 0 | Canonical Smiles: | Cc1cc(O)c2c(=O)c3c(O)cc(O)cc3c(=O)c2c1 | Source: | ex Cascara, Rheum and Rhammnus species | Reference: | Oncogene 17: 913 (1998); Planta Med 65: 9 (1999); Clin Cancer Res 5: 343 (1999) | Therapeutics: | antimicrobial, antineoplastic, cathartic, tyrosine kinase inhibitor |
Species: |
4932 |
Condition: |
APC9 |
Replicates: |
2 |
Raw OD Value: r im |
0.5856±0.010748 |
Normalized OD Score: sc h |
0.8373±0.0203157 |
Z-Score: |
-8.8313±0.970518 |
p-Value: |
1.89517e-16 |
Z-Factor: |
0.0306037 |
Fitness Defect: |
36.2021 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 6|H8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.90 Celcius | Date: | 2007-11-22 YYYY-MM-DD | Plate CH Control (+): | 0.042225±0.00072 | Plate DMSO Control (-): | 0.688175±0.02109 | Plate Z-Factor: | 0.8974 |
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DBLink | Rows returned: 1 | |
3220 |
1,6,8-trihydroxy-3-methyl-anthracene-9,10-dione |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 1535 | Additional Members: 5 | Rows returned: 3 | |
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