| 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: |
LAT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5719±0.0195869 |
| Normalized OD Score: sc h |
0.8589±0.0191497 |
| Z-Score: |
-6.9208±0.499222 |
| p-Value: |
0.0000000000257106 |
| Z-Factor: |
0.240795 |
| Fitness Defect: |
24.3841 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.40 Celcius | | Date: | 2008-04-23 YYYY-MM-DD | | Plate CH Control (+): | 0.040374999999999994±0.00045 | | Plate DMSO Control (-): | 0.660625±0.01078 | | Plate Z-Factor: | 0.9479 |
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| 5314092 |
n/a |
| 5314093 |
n/a |
| 5315954 |
(4aR,6S)-5-[2-[(6R)-2,6-dihydroxy-5,5,8a-trimethyl-decalin-1-yl]ethyl]-1,1,4a-trimethyl-decalin-2,6-diol |
| 5316183 |
n/a |
| 5316233 |
(3S,8S,9R,13R)-9-ethyl-4,4,13,14-tetramethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,8,10,11,12,15,16,17-dode
cahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5317077 |
(3S,4R,4aR,6bR,8aR,12aR,14aR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14
b-hexadecahydropicen-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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