| Compound Information | SONAR Target prediction | | Name: | 3-NOR-3-OXOPANASINSAN-6-OL | | Unique Identifier: | SPE00300110 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 200.149 g/mol | | X log p: | -1.167 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1(C)CC23C1CCC2(C)C(O)CCC3=O | | Class: | sesquiterpene | | Source: | derivative Panax ginseng | | Reference: | Chem Pharm Bull 35: 1975 (1987) |
| Species: |
4932 |
| Condition: |
TPK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6768±0.000919239 |
| Normalized OD Score: sc h |
0.9973±0.00380464 |
| Z-Score: |
-0.1319±0.196569 |
| p-Value: |
0.890406 |
| Z-Factor: |
-10.9965 |
| Fitness Defect: |
0.1161 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|G7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.70 Celcius | | Date: | 2008-04-25 YYYY-MM-DD | | Plate CH Control (+): | 0.040075±0.00151 | | Plate DMSO Control (-): | 0.6767000000000001±0.01232 | | Plate Z-Factor: | 0.9366 |
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ps
pdf |
| 11943876 |
(3S,5S,8S,9S,10S,13R,14R,17S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahy
drocyclopenta[a]phenanthren-11-one |
| 11943877 |
(3R,5S,8S,9S,10R,13R,14R,17S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahy
drocyclopenta[a]phenanthren-11-one |
| 11943878 |
(3R,5S,8S,9S,10S,13R,14R,17S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahy
drocyclopenta[a]phenanthren-11-one |
| 11975150 |
(5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,
14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| 15341086 |
(3S,5S,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethyl-heptan-2-yl]-10,13-dimethy
l-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| 15920952 |
6-hydroxyoctan-3-one |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 883 | Additional Members: 1 | Rows returned: 0 | |
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