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Compound InformationSONAR Target prediction
Name:

AVOCADYNE

Unique Identifier:SPE01505234
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:252.18 g/mol
X log p:-1.131  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:14
Canonical Smiles:OCC(O)CC(O)CCCCCCCCCCCC#C
Class:lipid
Source:Persea spp
Reference:An Acad Brasil Cienc 42 (suplemento): 45 (1970); Tetrahedron 25:4617 (1969)
Therapeutics:antibacterial, antifungal

Found: 14 active | as graph: single | with analogs << Back 11 12 13 14
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.7871±0.00282843
Normalized OD Score: sc h 0.8496±0.0146693
Z-Score: -4.1424±0.374361
p-Value: 0.000057953
Z-Factor: 0.202518
Fitness Defect: 9.7559
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2006-03-21 YYYY-MM-DD
Plate CH Control (+):0.038425±0.00133
Plate DMSO Control (-):0.7770999999999999±0.00927
Plate Z-Factor:0.9532
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DBLink | Rows returned: 1
3015189 heptadec-16-yne-1,2,4-triol

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 289 | Additional Members: 6 | Rows returned: 3
SPE00210025 0.416666666666667
SPE00211552 0
SPE00240932 0

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