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: |
pdr18h |
Replicates: |
2 |
Raw OD Value: r im |
0.0424±0.0000707107 |
Normalized OD Score: sc h |
0.0682±0.000925519 |
Z-Score: |
-26.2110±2.00728 |
p-Value: |
0 |
Z-Factor: |
-0.226402 |
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: | 24.90 Celcius | Date: | 2007-03-08 YYYY-MM-DD | Plate CH Control (+): | 0.040175±0.00183 | Plate DMSO Control (-): | 0.629975±0.20881 | Plate Z-Factor: | -0.0737 |
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11672203 |
(4aS,6aS,6bR,9S,10S,12aS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl- oxan-2-yl]oxy-oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13 ,14b-tetradecahydropicene-4a-carboxylic acid |
11700570 |
(4aS,6aR,6aS,6bR,8aR,9S,10S,12aS,14bR)-10-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydr oxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6, 6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
11721916 |
(6bS,12aS)-10-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox ymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6b,9,12a-pentamethyl-3,4,5,6,6a,6a,7,8,8a,10,1 1,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
11803298 |
(4aS,6aR,6aS,6bR,9S,10S,12aS,14bS)-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-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7 ,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
11803368 |
(4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5R ,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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-tetradecahydropicene-4a-carboxylic acid |
11803953 |
(4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxyme thyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxymethyl]-3,4,5-tri hydroxy-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-tetradecahydropi cene-4a-carboxylic acid |
internal high similarity DBLink | Rows returned: 1 | |
nonactive | Cluster 15543 | Additional Members: 5 | Rows returned: 4 | |
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