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: |
BNI1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6885±0.00176777 |
Normalized OD Score: sc h |
1.0020±0.00455091 |
Z-Score: |
0.0936±0.221765 |
p-Value: |
0.875934 |
Z-Factor: |
-12.8389 |
Fitness Defect: |
0.1325 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 9|E2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.40 Celcius | Date: | 2007-09-14 YYYY-MM-DD | Plate CH Control (+): | 0.04155±0.00083 | Plate DMSO Control (-): | 0.682925±0.03554 | Plate Z-Factor: | 0.8228 |
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7002619 |
(5S,8R,10S,13R,14S,17R)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]ph enanthren-3-one |
7002620 |
(5S,8R,10S,13R,14R,17R)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]ph enanthren-3-one |
7052802 |
(5R,10R,13S,14R)-10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
7052803 |
(5R,10R,13R,14R)-10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
7052804 |
(5R,10S,13S,14R)-10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
7052805 |
(5R,10S,13R,14R)-10,13-dimethyl-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 5085 | Additional Members: 3 | Rows returned: 1 | |
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