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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 161 162 163 164 165 166 167 Next >> [167]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.3098±0.016617
Normalized OD Score: sc h 0.8080±0.0422245
Z-Score: -1.6820±0.471991
p-Value: 0.110702
Z-Factor: -0.518423
Fitness Defect: 2.2009
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2006-04-25 YYYY-MM-DD
Plate CH Control (+):0.03965±0.00222
Plate DMSO Control (-):0.39559999999999995±0.01916
Plate Z-Factor:0.8117
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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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