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Compound InformationSONAR Target prediction
Name:

RETINYL PALMITATE

Unique Identifier:SPE01503604
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:464.384 g/mol
X log p:12.918  (online calculus)
Lipinksi Failures2
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:21
Canonical Smiles:CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Source:semisynthetic
Therapeutics:provitamin, antixerophthalamic

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: TOR1
Replicates: 2
Raw OD Value: r im 0.8617±0.0000707107
Normalized OD Score: sc h 0.9014±0.0124473
Z-Score: -1.6840±0.486226
p-Value: 0.111386
Z-Factor: 0.057517
Fitness Defect: 2.1948
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:12|H6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):-0.000125±0.00390
Plate DMSO Control (-):1.0029±0.01766
Plate Z-Factor:0.9485
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DBLink | Rows returned: 11<< Back 1 2
5353926 [(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] hexadecanoate
5459829 [(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] hexadecanoate
6438398 [(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] octadecanoate
6440168 [(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]
(E)-octadec-9-enoate
16061316 [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]
(E)-octadec-9-enoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 820 | Additional Members: 15 | Rows returned: 3
SPE01500143 0.277777777777778
Prest424 0
SPE01502016 0

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