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Compound InformationSONAR Target prediction
Name:

AVOCATIN B

Unique Identifier:SPE00211552
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C34H66O6
Molecular Weight:504.36 g/mol
X log p:0.612  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:15
Canonical Smiles:OCC(O)CC(O)CCCCCCCCCCCC=C.OCC(O)CC(O)CCCCCCCCCCCC#C
Source:Persea spp
Reference:An Acad Brasil Cienc 42 (suplemento): 45 (1970)

Found: 2 nonactive | as graph: single | with analogs << Back 1 2
Species: 4932
Condition: NUP100
Replicates: 2
Raw OD Value: r im 0.7535±0.00671751
Normalized OD Score: sc h 1.0000±0.0179761
Z-Score: -0.0045±1.22755
p-Value: 0.385394
Z-Factor: -78.6023
Fitness Defect: 0.9535
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|F10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.50 Celcius
Date:2007-08-28 YYYY-MM-DD
Plate CH Control (+):0.039975±0.00046
Plate DMSO Control (-):0.739225±0.02484
Plate Z-Factor:0.8833
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DBLink | Rows returned: 1
6710748 heptadec-16-ene-1,2,4-triol; heptadec-16-yne-1,2,4-triol

internal high similarity DBLink | Rows returned: 0

active | Cluster 289 | Additional Members: 6 | Rows returned: 5
LAT001B04 0.439024390243902
SPE01505234 0.439024390243902
LAT001F03 0.416666666666667
SPE00210025 0.416666666666667
SPE00240932 0

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