| Compound Information | SONAR Target prediction | | Name: | FRIEDELIN | | Unique Identifier: | SPE00100551 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 376.32 g/mol | | X log p: | 1.503 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C | | Class: | triterpene | | Source: | Ceratopetalum apetalum D. Don, Cunoniaceae | | Reference: | J Chem Soc 1954: 473 | | Generic_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Chemical_iupac_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00262 | | Drug_category: | Estradiol 17 Beta-Dehydrogenase 1 inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
VPS1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5586±0.000636396 |
| Normalized OD Score: sc h |
0.8764±0.0072344 |
| Z-Score: |
-4.8922±0.127697 |
| p-Value: |
0.00000109956 |
| Z-Factor: |
-7.12208 |
| Fitness Defect: |
13.7206 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|C5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.20 Celcius | | Date: | 2007-10-03 YYYY-MM-DD | | Plate CH Control (+): | 0.0403±0.00310 | | Plate DMSO Control (-): | 0.635675±0.11574 | | Plate Z-Factor: | 0.3704 |
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| 3085519 |
11-methyldodecanal |
| 3085619 |
(2R,6R)-2,6-dimethyl-4-(3-methylbutyl)cyclohexan-1-one |
| 3085727 |
(3aS,7S,7aS)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one |
| 3085790 |
(3R)-3,5,5-trimethylheptanal |
| 3086255 |
1-[(3R,3aS,5R,7aR)-1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl]propan-2-one |
| 3269490 |
8-methyldecan-2-one |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 183 | Additional Members: 2 | Rows returned: 0 | |
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