Compound Information | SONAR Target prediction | Name: | BISABOLOL ACETATE | Unique Identifier: | SPE00307058 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 236.181 g/mol | X log p: | 4.408 (online calculus) | Lipinksi Failures | 0 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 6 | Canonical Smiles: | CC(=O)OC(C)(CCC=C(C)C)C1CCC(C)=CC1 | Class: | sesquiterpene | Source: | derivative |
Species: |
4932 |
Condition: |
DBP3 |
Replicates: |
2 |
Raw OD Value: r im |
0.6905±0.00304056 |
Normalized OD Score: sc h |
0.9949±0.0158946 |
Z-Score: |
-0.2812±0.834815 |
p-Value: |
0.570364 |
Z-Factor: |
-40.0845 |
Fitness Defect: |
0.5615 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 6|F8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.80 Celcius | Date: | 2007-09-13 YYYY-MM-DD | Plate CH Control (+): | 0.040025000000000005±0.00267 | Plate DMSO Control (-): | 0.6953±0.02774 | Plate Z-Factor: | 0.8706 |
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7068777 |
[(2S,3S)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]methyl acetate |
9496900 |
[(4aS,6aS,6bR,8aR,10S,12aS,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,1 1,12,13,14,14b-tetradecahydropicen-4a-yl]methyl acetate |
9496901 |
[(4aS,6aS,6bR,8aR,10S,12aS,14aS,14bR)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,1 1,12,13,14,14b-tetradecahydropicen-4a-yl]methyl acetate |
9496902 |
[(4aS,6aR,6bR,8aR,10S,12aS,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,1 1,12,13,14,14b-tetradecahydropicen-4a-yl]methyl acetate |
9496903 |
[(4aS,6aR,6bR,8aR,10S,12aS,14aS,14bR)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,1 1,12,13,14,14b-tetradecahydropicen-4a-yl]methyl acetate |
11944613 |
[(4aR,6aR,6bR,8aR,10S,12aS,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,1 1,12,13,14,14b-tetradecahydropicen-4a-yl]methyl acetate |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 11864 | Additional Members: 1 | Rows returned: 0 | |
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