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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 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6248±0.0286378
Normalized OD Score: sc h 0.9717±0.00827105
Z-Score: -0.9198±0.394848
p-Value: 0.376148
Z-Factor: -6.63435
Fitness Defect: 0.9778
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00058
Plate DMSO Control (-):0.670625±0.02966
Plate Z-Factor:0.8333
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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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