Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR 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 Failures0
TPSA26.3
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

Found: 192 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [192]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.7121±0.00643467
Normalized OD Score: sc h 1.0134±0.000884921
Z-Score: 1.0757±0.0610671
p-Value: 0.282496
Z-Factor: -0.574436
Fitness Defect: 1.2641
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2008-05-13 YYYY-MM-DD
Plate CH Control (+):0.041875±0.00226
Plate DMSO Control (-):0.6977500000000001±0.01558
Plate Z-Factor:0.9123
png
ps
pdf

DBLink | Rows returned: 40<< Back 1 2 3 4 5 6 7 Next >> 
6708663 [(2S)-6-methyl-2-(4-methyl-1-cyclohex-3-enyl)hept-5-en-2-yl] acetate
6931855 [(1R,4R,7S)-7-bicyclo[2.2.2]oct-2-enyl]methyl acetate
7036704 [(1R,4R,7R)-7-bicyclo[2.2.2]oct-2-enyl]methyl acetate
7068774 [(2R,3R)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]methyl acetate
7068775 [(2R,3S)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]methyl acetate
7068776 [(2S,3R)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]methyl acetate

internal high similarity DBLink | Rows returned: 2
SPE00100552 0.9123
SPE00100583 0.9298

active | Cluster 11864 | Additional Members: 1 | Rows returned: 0

Service provided by the Mike Tyers Laboratory