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Compound InformationSONAR Target prediction
Name:

AMBRETTOLIDE

Unique Identifier:SPE00310003
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H28O2
Molecular Weight:224.17 g/mol
X log p:4.152  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:O=C1CCCCCC=CCCCCCCCCO1
Source:ex Abelmoschus moschatus and bees
Reference:Food Cosmet Toxicol 13: 707 (1975)

Found: 101 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6929±0.00579828
Normalized OD Score: sc h 0.9973±0.00105532
Z-Score: -0.1486±0.0550908
p-Value: 0.881944
Z-Factor: -137.003
Fitness Defect: 0.1256
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04227500000000001±0.00068
Plate DMSO Control (-):0.6801±0.01862
Plate Z-Factor:0.9086
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DBLink | Rows returned: 136[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [23]
5363258 hexadecyl (E)-hexadec-9-enoate
5364639 [(E)-hexadec-9-enyl] (E)-hexadec-9-enoate
5364672 [(E)-octadec-9-enyl] (E)-octadec-9-enoate
5364677 [(E)-octadec-9-enyl] (E)-hexadec-9-enoate
5364678 [(E)-hexadec-9-enyl] (E)-octadec-9-enoate
5365034 tetradecyl (E)-octadec-9-enoate

internal high similarity DBLink | Rows returned: 5
SPE00100552 0.9123
SPE00102058 0.9180
NRB 03689 0.9194
SPE00300034 0.9194
SPE00310017 0.9474

active | Cluster 983 | Additional Members: 1 | Rows returned: 0
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