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Compound InformationSONAR Target prediction
Name:

RETINYL ACETATE

Unique Identifier:SPE01503051
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H32O2
Molecular Weight:296.234 g/mol
X log p:12.918  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:7
Canonical Smiles:CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Therapeutics:vitamin precursor

Found: 114 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [114]
Species: 4932
Condition: BY4741-3rd
Replicates: 2
Raw OD Value: r im 0.6898±0.000212132
Normalized OD Score: sc h 0.9933±0.00572927
Z-Score: -0.2231±0.241675
p-Value: 0.825988
Z-Factor: -50.9227
Fitness Defect: 0.1912
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:15|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2007-09-25 YYYY-MM-DD
Plate CH Control (+):0.0401±0.00079
Plate DMSO Control (-):0.68345±0.02252
Plate Z-Factor:0.8592
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DBLink | Rows returned: 5
5057 [3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] acetate
638034 [(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] acetate
5353925 [(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] acetate
5381733 [(2Z,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] acetate
16036981 [(2E,4E,6E)-3,5-dimethyl-7-(2,6,6-trimethyl-1-cyclohexenyl)hepta-2,4,6-trienyl] acetate

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 820 | Additional Members: 15 | Rows returned: 102 Next >> 
SPE01503604 0.475
LOPAC 00957 0.287878787878788
SPE01500143 0.277777777777778
LAT006C08 0.277777777777778
SPE01501203 0.263157894736842
SPE01502013 0

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