| 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: |
SWC5 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7377±0.00120208 |
| Normalized OD Score: sc h |
1.0894±0.00316446 |
| Z-Score: |
4.0437±0.180024 |
| p-Value: |
0.0000601034 |
| Z-Factor: |
0.0991629 |
| Fitness Defect: |
9.7194 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 25|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.10 Celcius | | Date: | 2008-06-19 YYYY-MM-DD | | Plate CH Control (+): | 0.039675±0.00041 | | Plate DMSO Control (-): | 0.6616±0.01561 | | Plate Z-Factor: | 0.9318 |
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ps
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| 5284618 |
(3S,9R,10R,13S,14R,17R)-4,10,13-trimethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,1
5,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5315163 |
2-[(2R,8aR)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol |
| 5315190 |
17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyc
lopenta[a]phenanthren-3-ol |
| 5315464 |
n/a |
| 5315867 |
n/a |
| 5315938 |
(3S,10R,13S,17R)-4,10,13-trimethyl-17-[(E)-5-propan-2-ylhept-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 | |
|
