| 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: |
SPT3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.1688±0.0177484 |
| Normalized OD Score: sc h |
0.3697±0.0298924 |
| Z-Score: |
-10.3413±0.126431 |
| p-Value: |
6.7011e-25 |
| Z-Factor: |
0.708014 |
| Fitness Defect: |
55.6624 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.80 Celcius | | Date: | 2008-02-13 YYYY-MM-DD | | Plate CH Control (+): | 0.040825±0.00133 | | Plate DMSO Control (-): | 0.4344±0.01306 | | Plate Z-Factor: | 0.8802 |
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ps
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| 248414 |
(3S,5S,8R,9S,10S,13S,14S,17S)-17-ethyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyc
lopenta[a]phenanthrene-3,17-diol |
| 249489 |
4-(cyclohexylmethyl)cyclohexan-1-ol |
| 249494 |
3,7-dimethyloctane-1,7-diol |
| 249813 |
1-(3-methylbutyl)cyclohexan-1-ol |
| 251230 |
5-ethyl-4-propyl-nonan-4-ol |
| 251268 |
2-ethyl-5-methyl-hexan-1-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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