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Compound InformationSONAR Target prediction
Name:

AVOCADENE

Unique Identifier:SPE00240932
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:252.18 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
Class:lipid
Source:Persia americana; avocado seeds
Reference:Ann Acad Brasil Cienc 42 (suplemento): 45 (1970); Tetrahedron 25: 4617 (1969);
Phytochemistry 10: 1417 (1971); 31: 93 (1992)
Therapeutics:antifungal

Found: 167 nonactive | as graph: single | with analogs [1] << Back 151 152 153 154 155 156 157 158 159 160  Next >> [167]
Species: 4932
Condition: SPO22
Replicates: 2
Raw OD Value: r im 0.3278±0.0124451
Normalized OD Score: sc h 0.9921±0.0313044
Z-Score: -0.0947±0.382521
p-Value: 0.78772
Z-Factor: -119.218
Fitness Defect: 0.2386
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2006-05-12 YYYY-MM-DD
Plate CH Control (+):0.038900000000000004±0.00051
Plate DMSO Control (-):0.3236±0.01849
Plate Z-Factor:0.7935
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DBLink | Rows returned: 1
158573 heptadec-16-ene-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
SPE00211552 0

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