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: |
HXK2 |
Replicates: |
2 |
Raw OD Value: r im |
0.6523±0.0485075 |
Normalized OD Score: sc h |
0.8614±0.0405208 |
Z-Score: |
-6.1571±1.67634 |
p-Value: |
0.000000331806 |
Z-Factor: |
-0.336047 |
Fitness Defect: |
14.9187 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 24|H10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.30 Celcius | Date: | 2008-03-05 YYYY-MM-DD | Plate CH Control (+): | 0.0406±0.00038 | Plate DMSO Control (-): | 0.737825±0.01524 | Plate Z-Factor: | 0.9459 |
| png ps pdf |
643780 |
(3S,9S,10R,13R,14S,17S)-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 |
1742286 |
(3R,9R,10R,13S,14S,17S)-17-[(E,2S,5S)-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 |
5316464 |
(3S,10R,13S)-17-[(E)-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 |
5317174 |
(10R,13S,17R)-17-[(E)-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 |
5319551 |
17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]p henanthren-3-ol |
5351178 |
17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]p henanthren-3-ol |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 5085 | Additional Members: 3 | Rows returned: 0 | |
|