| 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: |
PPH21 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6337±0.0351432 |
| Normalized OD Score: sc h |
0.8599±0.0429035 |
| Z-Score: |
-5.0186±1.47162 |
| p-Value: |
0.0000347432 |
| Z-Factor: |
-0.742342 |
| Fitness Defect: |
10.2675 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|G8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.40 Celcius | | Date: | 2006-05-16 YYYY-MM-DD | | Plate CH Control (+): | 0.038225±0.00193 | | Plate DMSO Control (-): | 0.772425±0.02659 | | Plate Z-Factor: | 0.8599 |
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ps
pdf |
| 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 | |
| nonactive | Cluster 5085 | Additional Members: 3 | Rows returned: 2 | |
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