| Compound Information | SONAR Target prediction | | Name: | ERGOSTEROL | | Unique Identifier: | SPE00200743 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 352.299 g/mol | | X log p: | 9.518 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C | | Class: | sterol | | Source: | yeast | | Reference: | J Biol Chem 80: 15 (1928) | | Generic_name: | ERGOSTEROL | | Chemical_iupac_name: | ERGOSTEROL | | Drug_type: | Experimental | | Kegg_compound_id: | C01694 | | Drugbank_id: | EXPT01357 | | Logp: | 6.804 | | Cas_registry_number: | 57-87-4 | | Drug_category: | Beta-Cryptogein inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
SEC66 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5595±0.00968736 |
| Normalized OD Score: sc h |
1.0106±0.0119469 |
| Z-Score: |
0.3805±0.4261 |
| p-Value: |
0.716096 |
| Z-Factor: |
-6.70393 |
| Fitness Defect: |
0.3339 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|H10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2007-12-07 YYYY-MM-DD | | Plate CH Control (+): | 0.04505±0.00062 | | Plate DMSO Control (-): | 0.536875±0.01441 | | Plate Z-Factor: | 0.9064 |
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ps
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| 101705 |
17-(5-ethyl-6-methyl-hept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]
phenanthren-3-ol |
| 247705 |
17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phena
nthren-3-ol |
| 439550 |
(3S,9R,10R,13S,14R,17R)-17-[(2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17
-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 439812 |
(3S)-10,13-dimethyl-17-(6-methyl-5-methylidene-hept-3-en-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cy
clopenta[a]phenanthren-3-ol |
| 440671 |
10,13-dimethyl-17-(6-methyl-5-methylidene-hept-3-en-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclope
nta[a]phenanthren-3-ol |
| 444679 |
(3S,9R,10R,13S,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,
17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 5085 | Additional Members: 3 | Rows returned: 0 | |
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