| 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: |
SWR1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6495±0.00678822 |
| Normalized OD Score: sc h |
1.0046±0.000905196 |
| Z-Score: |
0.1850±0.0333248 |
| p-Value: |
0.853238 |
| Z-Factor: |
-19.5653 |
| Fitness Defect: |
0.1587 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 24|F2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.40 Celcius | | Date: | 2008-01-31 YYYY-MM-DD | | Plate CH Control (+): | 0.040725±0.00064 | | Plate DMSO Control (-): | 0.6174±0.03005 | | Plate Z-Factor: | 0.8335 |
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ps
pdf |
| 7084173 |
(4aR,6aS,6bS,8aR,12aS,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,13,14-dodecahydro
-1H-picen-3-one |
| 7084174 |
(4aS,6aS,6bS,8aR,12aS,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,13,14-dodecahydro
-1H-picen-3-one |
| 7099932 |
(5S,9S,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,5,6,9,11,12,15,16,
17-decahydrocyclopenta[a]phenanthren-3-one |
| 7099933 |
(5S,9S,10S,13S,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-1,2,5,6,9,11,12,15,16,
17-decahydrocyclopenta[a]phenanthren-3-one |
| 7099934 |
(5S,9S,10S,13S,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,5,6,9,11,12,15,16,
17-decahydrocyclopenta[a]phenanthren-3-one |
| 11776042 |
n/a |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
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