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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] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [101]
Species: 4932
Condition: KAP123
Replicates: 2
Raw OD Value: r im 0.5606±0.0100409
Normalized OD Score: sc h 0.9918±0.00969142
Z-Score: -0.3126±0.363949
p-Value: 0.762322
Z-Factor: -18.0608
Fitness Defect: 0.2714
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2007-11-09 YYYY-MM-DD
Plate CH Control (+):0.0411±0.01230
Plate DMSO Control (-):0.5547±0.01788
Plate Z-Factor:0.9149
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DBLink | Rows returned: 136[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [23]
5365040 icosyl (E)-hexadec-9-enoate
5365187 octadecyl (E)-hexadec-9-enoate
5365194 octadecyl (E)-octadec-9-enoate
5365195 icosyl (E)-octadec-9-enoate
5365703 (8E)-1-oxacycloheptadec-8-en-2-one
5367703 [(E)-hexadec-9-enyl] hexadecanoate

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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