| Compound Information | SONAR Target prediction | | Name: | beta-CARYOPHYLLENE ALCOHOL | | Unique Identifier: | SPE00300105 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 196.16 g/mol | | X log p: | -0.484 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1(C)CC2C1CCC1(C)CCCC2(O)C1 | | Class: | sesquiterpene | | Source: | palmarosa oil, Cymbopogon martini | | Reference: | Aust J Chem 41: 1755 (1988) | | Generic_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Chemical_iupac_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Drug_type: | Experimental | | Drugbank_id: | EXPT00530 | | Logp: | 3.73 | | Drug_category: | Sex Hormone-Binding Globulin inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
RGP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3450±0.0236174 |
| Normalized OD Score: sc h |
0.7999±0.0521355 |
| Z-Score: |
-5.2166±1.29016 |
| p-Value: |
0.00000837432 |
| Z-Factor: |
-0.278928 |
| Fitness Defect: |
11.6903 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.30 Celcius | | Date: | 2008-06-26 YYYY-MM-DD | | Plate CH Control (+): | 0.03995±0.00204 | | Plate DMSO Control (-): | 0.4414±0.01397 | | Plate Z-Factor: | 0.8920 |
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| 7352906 |
n/a |
| 7352936 |
(1R,2R,5S)-5-methyl-2-propyl-cyclohexan-1-ol |
| 7352937 |
(1R,2S,5S)-5-methyl-2-propyl-cyclohexan-1-ol |
| 7352938 |
(1R,2R,5R)-5-methyl-2-propyl-cyclohexan-1-ol |
| 7359279 |
(3S,5S,8R,9R,10S,13R,14S,17S)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,1
1,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 7359280 |
(3S,5S,8R,9R,10S,13R,14S,17S)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,1
1,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 8273 | Additional Members: 1 | Rows returned: 0 | |
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