| 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: |
BEM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6365±0.0159099 |
| Normalized OD Score: sc h |
0.7950±0.023679 |
| Z-Score: |
-6.0224±0.600577 |
| p-Value: |
0.0000000109141 |
| Z-Factor: |
-0.0927927 |
| Fitness Defect: |
18.3332 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 3|B6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.20 Celcius | | Date: | 2006-03-25 YYYY-MM-DD | | Plate CH Control (+): | 0.040749999999999995±0.00146 | | Plate DMSO Control (-): | 0.6167±0.01341 | | Plate Z-Factor: | 0.9250 |
|  png
ps
pdf |
| 301152 |
n/a |
| 301463 |
(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)metha
nol |
| 301466 |
2-(4-hydroxy-4-methyl-pentyl)-10a,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochry
sen-1-ol |
| 301469 |
2,2,4a-trimethyldecalin-1-ol |
| 313039 |
17-(7-hydroxy-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-c
yclopenta[a]phenanthren-3-ol |
| 313075 |
n/a |
| active | Cluster 8273 | Additional Members: 1 | Rows returned: 0 | |
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