| 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: |
RRP6 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6440±0.0375474 |
| Normalized OD Score: sc h |
1.0164±0.0178321 |
| Z-Score: |
0.6123±0.675112 |
| p-Value: |
0.584278 |
| Z-Factor: |
-6.89479 |
| Fitness Defect: |
0.5374 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|G7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.60 Celcius | | Date: | 2008-03-14 YYYY-MM-DD | | Plate CH Control (+): | 0.0407±0.00093 | | Plate DMSO Control (-): | 0.6168750000000001±0.01740 | | Plate Z-Factor: | 0.8726 |
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ps
pdf |
| 101849 |
(3R,5R,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahy
drocyclopenta[a]phenanthren-17-one |
| 102008 |
(3S,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 |
| 121914 |
(3S,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 |
| 132483 |
(8S,9S,10S,13S,14S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclope
nta[a]phenanthren-11-one |
| 222796 |
(5R,8S,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopen
ta[a]phenanthrene-3,11-dione |
| 227057 |
7-ethyl-7-hydroxy-4a,6a-dimethyl-3,4,4b,6,8,9,10,10a,10b,11,12,12a-dodecahydro-1H-chrysene-2,5-dione |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 883 | Additional Members: 1 | Rows returned: 0 | |
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