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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1715396 |
(5S,9S,10S,13S,14S,17S)-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 |
2748213 |
(14S)-10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
2748251 |
(5R,14S)-10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
3017532 |
3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)butan-2-one |
3036241 |
(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,5,6,7,11,12,15,16,17-dec ahydrocyclopenta[a]phenanthren-3-one |
3259771 |
17-acetyl-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
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