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

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 101 102 103 104 105 106 107 108 109 110  Next >> [205]
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.6915±0.00212132
Normalized OD Score: sc h 1.0323±0.0130875
Z-Score: 1.0747±0.38647
p-Value: 0.300254
Z-Factor: -3.72232
Fitness Defect: 1.2031
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.30 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.042575±0.00247
Plate DMSO Control (-):0.6584749999999999±0.01937
Plate Z-Factor:0.9430
png
ps
pdf

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

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

Service provided by the Mike Tyers Laboratory