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Compound InformationSONAR Target prediction
Name:

RHODINYL ACETATE

Unique Identifier:SPE00310030
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:176.127 g/mol
X log p:2.39  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:7
Canonical Smiles:CC(CCOC(C)=O)CCC=C(C)C
Class:terpene
Source:common constituent of plant essential oils

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: ARF1
Replicates: 2
Raw OD Value: r im 0.6587±0.0205061
Normalized OD Score: sc h 1.0356±0.00637151
Z-Score: 1.7237±0.302989
p-Value: 0.0919086
Z-Factor: -4.48102
Fitness Defect: 2.387
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2007-10-02 YYYY-MM-DD
Plate CH Control (+):0.041025±0.00079
Plate DMSO Control (-):0.632525±0.06697
Plate Z-Factor:0.6376
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DBLink | Rows returned: 3
9017 3,7-dimethyloct-6-enyl acetate
6708682 [(3R)-3,7-dimethyloct-6-enyl] acetate
6999975 [(3S)-3,7-dimethyloct-6-enyl] acetate

internal high similarity DBLink | Rows returned: 2
SPE00100583 0.9057
SPE00100552 0.9231

nonactive | Cluster 1751 | Additional Members: 1 | Rows returned: 0

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