| Compound Information | SONAR Target prediction | | Name: | EUPHOL | | Unique Identifier: | SPE00201697 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 376.32 g/mol | | X log p: | 2.412 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(CCC=C(C)C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C=3CCC12C | | Class: | triterpene | | Source: | Euphorbia spp. | | Reference: | J Chem Soc 1944:249; 1958:179 | | Generic_name: | LANOSTEROL | | Chemical_iupac_name: | LANOSTEROL | | Drug_type: | Experimental | | Kegg_compound_id: | C01724 | | Drugbank_id: | EXPT02002 | | Logp: | 7.63 | | Cas_registry_number: | 79-63-0 | | Drug_category: | Lanosterol Synthase inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
BY4741 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7712±0.000565685 |
| Normalized OD Score: sc h |
1.0685±0.00628301 |
| Z-Score: |
4.2201±0.351411 |
| p-Value: |
0.0000396218 |
| Z-Factor: |
-0.0969214 |
| Fitness Defect: |
10.1361 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 25|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.90 Celcius | | Date: | 2008-08-15 YYYY-MM-DD | | Plate CH Control (+): | 0.043975±0.00188 | | Plate DMSO Control (-): | 0.711425±0.01430 | | Plate Z-Factor: | 0.9288 |
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ps
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| 390622 |
(3S,4S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-1,2,3,4,5,6,
7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol |
| 428925 |
n/a |
| 440371 |
(3S,5S,10S,13S,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,5,6,7,11,12,14
,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 440375 |
(3S,5S,10S,13S,14R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,1
7-dodecahydrocyclopenta[a]phenanthren-3-ol |
| 440556 |
(4S,5S)-4,10,13-trimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclo
penta[a]phenanthren-3-ol |
| 440557 |
(3S,9R,10R,13S,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-do
decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| internal high similarity DBLink | Rows returned: 11 | 1 2 Next >> |
| active | Cluster 1278 | Additional Members: 6 | Rows returned: 2 | |
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