Compound Information | SONAR Target prediction | Name: | PERIPLOCYMARIN | Unique Identifier: | SPE00100588 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C30H46O8 | Molecular Weight: | 489.324 g/mol | X log p: | 0.451 (online calculus) | Lipinksi Failures | 0 | TPSA | 53.99 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 8 | Rotatable Bond Count: | 4 | Canonical Smiles: | COC1CC(OC(C)C1O)OC1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1COC(=O)C=1 | Source: | ex Periploca graeca L., Asclepiadaceae | Reference: | J Biol Chem 79: 519 (1928) |
Species: |
4932 |
Condition: |
SER1 |
Replicates: |
2 |
Raw OD Value: r im |
0.3690±0.0580535 |
Normalized OD Score: sc h |
0.6058±0.0713328 |
Z-Score: |
-12.3916±1.90685 |
p-Value: |
1.18095e-28 |
Z-Factor: |
-0.605249 |
Fitness Defect: |
64.3061 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 9|C7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.80 Celcius | Date: | 2007-09-17 YYYY-MM-DD | Plate CH Control (+): | 0.0399±0.00047 | Plate DMSO Control (-): | 0.589025±0.06861 | Plate Z-Factor: | 0.5839 |
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35730 |
4-[(3S,5R,10S,13R,14S,17S)-14-hydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimeth yl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one |
36145 |
4-[(3S,5S,10R,13R,14S,17S)-5,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-di methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one |
42996 |
4-[(3S,5R,10S,13R,14S,17S)-14-hydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimeth yl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one |
53527 |
4-[(3S,5R,10S,11R,13R,14S,17S)-11,14-dihydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10, 13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-on e |
57423 |
4-[(3S,5R,10S,11R,13R,14S,17S)-11,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10, 13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-on e |
120680 |
4-[(3S,5R,8R,9S,10S,11R,13R,14S,17S)-11,14-dihydroxy-3-[(4R,5S,6R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-y l]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-f uran-2-one |
internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
active | Cluster 12609 | Additional Members: 16 | Rows returned: 3 | |
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