Compound Information | SONAR Target prediction | Name: | Sapindoside A | Unique Identifier: | LAT001H04 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C41H66O12 | Molecular Weight: | 684.432 g/mol | X log p: | 0.138000000000001 (online calculus) | Lipinksi Failures | 1 | TPSA | 53.99 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 12 | Rotatable Bond Count: | 6 | Canonical Smiles: | CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC34C)C (O)=O)C2(C)CO)C(O)C(O)C1O |
Species: |
4932 |
Condition: |
wt18h |
Replicates: |
2 |
Raw OD Value: r im |
0.0429±0.000989949 |
Normalized OD Score: sc h |
0.0544±0.00108478 |
Z-Score: |
-26.8551±4.63866 |
p-Value: |
0 |
Z-Factor: |
0.932548 |
Fitness Defect: |
INF |
Bioactivity Statement: |
Toxic |
Experimental Conditions | | Library: | LATCA | Plate Number and Position: | 1|H4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.60 Celcius | Date: | 2007-02-28 YYYY-MM-DD | Plate CH Control (+): | 0.04045±0.00170 | Plate DMSO Control (-): | 0.805925±0.01622 | Plate Z-Factor: | 0.9334 |
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10908823 |
(1S,2R,4aS,6aS,6aS,6bR,10S,12aS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3 ,4,5-trihydroxyoxan-2-yl]oxy-oxan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13 ,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
11147051 |
(1S,2R,4aS,6aR,6aS,6bR,10S,12aS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6- (hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13 ,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
11181926 |
(4aS,6aR,6aS,6bR,9S,10S,12aS,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S,6R)-3,4 ,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1 ,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
11205069 |
(4aS,6aR,6aS,6bR,9S,10S,12aS,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S,6R)-3,4 ,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1 ,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
11216564 |
(4aS,6aR,6aS,6bR,9S,10S,12aS,14bR)-10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S, 6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexa methyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
11285657 |
(4aS,6aS,6bR,12aS)-10-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydrox yoxan-2-yl]oxy-oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradeca hydropicene-4a-carboxylic acid |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 15543 | Additional Members: 5 | Rows returned: 2 | |
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