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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 51 52 53 54 55 56 57 58 59 60  Next >> [192]
Species: 4932
Condition: NBP2
Replicates: 2
Raw OD Value: r im 0.7836±0.0531744
Normalized OD Score: sc h 1.0477±0.000422015
Z-Score: 1.1933±0.208896
p-Value: 0.237814
Z-Factor: -1.66135
Fitness Defect: 1.4363
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2006-02-17 YYYY-MM-DD
Plate CH Control (+):0.038075±0.00129
Plate DMSO Control (-):0.747125±0.03319
Plate Z-Factor:0.8280
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DBLink | Rows returned: 401 2 3 4 5 6 7 Next >> 
90792 2-(6-bicyclo[2.2.1]hept-2-enyl)propan-2-yl acetate
93317 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl acetate
106749 (2,4-dimethyl-1-cyclohex-3-enyl)methyl acetate
111037 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
112702 1-(4,6,6-trimethyl-1-cyclohex-3-enyl)ethyl acetate
174897 n/a

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

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