| 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: |
SNC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7043±0.0129401 |
| Normalized OD Score: sc h |
0.9793±0.0173032 |
| Z-Score: |
-1.1669±0.952709 |
| p-Value: |
0.343782 |
| Z-Factor: |
-4.59959 |
| Fitness Defect: |
1.0677 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|G7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.10 Celcius | | Date: | 2008-04-24 YYYY-MM-DD | | Plate CH Control (+): | 0.040525000000000005±0.00065 | | Plate DMSO Control (-): | 0.709825±0.01400 | | Plate Z-Factor: | 0.9249 |
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ps
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| 8182948 |
(3S,5S,8R,9R,10S,13R,14S,17S)-3-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16
,17-tetradecahydrocyclopenta[a]phenanthren-12-one |
| 9437144 |
(3S,5R,8S,9R,10R,13R,14S,17R)-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 |
| 9437145 |
(3S,5R,8S,9R,10S,13R,14S,17R)-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 |
| 9437146 |
(3R,5R,8S,9R,10R,13R,14S,17R)-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 |
| 9437147 |
(3R,5R,8S,9R,10S,13R,14S,17R)-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 |
| 11943875 |
(3S,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 |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 883 | Additional Members: 1 | Rows returned: 0 | |
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