Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 2 3 4 5 6 7 8 9 10  Next >> [167]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7249±0.00537401
Normalized OD Score: sc h 0.9987±0.00243484
Z-Score: -0.0722±0.13116
p-Value: 0.926298
Z-Factor: -22.4633
Fitness Defect: 0.0766
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.040475±0.00119
Plate DMSO Control (-):0.70815±0.01282
Plate Z-Factor:0.9284
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory