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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 21 22 23 24 25 26 27 28 29 30  Next >> [101]
Species: 4932
Condition: CLA4
Replicates: 2
Raw OD Value: r im 0.6673±0.0195869
Normalized OD Score: sc h 0.9927±0.0105865
Z-Score: -0.3110±0.454204
p-Value: 0.759582
Z-Factor: -112.96
Fitness Defect: 0.275
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2007-09-12 YYYY-MM-DD
Plate CH Control (+):0.0401±0.00041
Plate DMSO Control (-):0.658±0.02547
Plate Z-Factor:0.8858
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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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