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Compound InformationSONAR Target prediction
Name:

AVOCATIN A

Unique Identifier:SPE00210025
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:584.402 g/mol
X log p:1.085  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:17
Canonical Smiles:CC(=O)OCC(O)CC(O)CCCCCCCCCCCC=C.CC(=O)OCC(O)CC(O)CCCCCCCCCCCC#C
Class:lipid
Source:Persea spp
Reference:An Acad Brasil Cienc 42 (suplemento): 45 (1970)
Therapeutics:antibacterial, antifungal

Found: 365 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [365]
Species: 4932
Condition: SPE00100009
Replicates: 2
Raw OD Value: r im 0.4670±0.0511238
Normalized OD Score: sc h 0.7845±0.0627704
Z-Score: -7.4519±2.64662
p-Value: 0.0000000119933
Z-Factor: -0.690292
Fitness Defect: 18.2389
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|D3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.039400000000000004±0.00191
Plate DMSO Control (-):0.5848±0.04470
Plate Z-Factor:0.7786
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DBLink | Rows returned: 1
6710728 2,4-dihydroxyheptadec-16-enyl acetate; 2,4-dihydroxyheptadec-16-ynyl acetate

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 289 | Additional Members: 6 | Rows returned: 3
SPE01505234 0.439024390243902
SPE00211552 0
SPE00240932 0

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