| 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: |
GAS1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.1031±0.00763675 |
| Normalized OD Score: sc h |
0.3351±0.010021 |
| Z-Score: |
-6.6380±0.791393 |
| p-Value: |
0.000000000607194 |
| Z-Factor: |
0.655786 |
| Fitness Defect: |
21.2222 |
| Bioactivity Statement: |
Toxic |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|H8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.90 Celcius | | Date: | 2006-01-20 YYYY-MM-DD | | Plate CH Control (+): | 0.043425000000000005±0.00154 | | Plate DMSO Control (-): | 0.3497±0.02233 | | Plate Z-Factor: | 0.6989 |
|  png
ps
pdf |
| 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 | |
|
