| Compound Information | SONAR Target prediction | | Name: | ERGOSTA-7,22-DIEN-3-ONE | | Unique Identifier: | SPE01800109 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 352.299 g/mol | | X log p: | 8.157 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C | | Class: | sterol | | Source: | Fomes & Coriolis spp. | | Reference: | J Chem Soc (C)1971:685 |
| Species: |
4932 |
| Condition: |
VPS35 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7044±0.000141421 |
| Normalized OD Score: sc h |
1.0050±0.00513643 |
| Z-Score: |
0.2522±0.261996 |
| p-Value: |
0.804212 |
| Z-Factor: |
-111.346 |
| Fitness Defect: |
0.2179 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|F2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.60 Celcius | | Date: | 2008-02-20 YYYY-MM-DD | | Plate CH Control (+): | 0.042124999999999996±0.00111 | | Plate DMSO Control (-): | 0.688625±0.01682 | | Plate Z-Factor: | 0.9335 |
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| 3739385 |
17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 4123481 |
10,13-dimethyl-1,4,5,6,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one |
| 4180147 |
17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,4,5,6,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phen
anthren-11-one |
| 4183855 |
10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 4205159 |
4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phen
anthren-3-one |
| 4270337 |
10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
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