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Compound InformationSONAR Target prediction
Name:

Asarinin (-)

Unique Identifier:LAT001B05
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20H18O6
Molecular Weight:336.21 g/mol
X log p:14.384  (online calculus)
Lipinksi Failures1
TPSA55.38
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:2
Canonical Smiles:C1Oc2ccc(cc2O1)C1OCC2C1COC2c1ccc2OCOc2c1

Found: 4 nonactive | as graph: single | with analogs << Back 1 2 3 4 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.7191±0.0141421
Normalized OD Score: sc h 0.9120±0.0150739
Z-Score: -2.4062±0.0227979
p-Value: 0.0161336
Z-Factor: -0.238212
Fitness Defect: 4.1269
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00170
Plate DMSO Control (-):0.805925±0.01622
Plate Z-Factor:0.9334
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DBLink | Rows returned: 202 3 4 Next >> 
5204 5-(8-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-4-yl)benzo[1,3]dioxole
72307 5-[(1R,4S,5R,8S)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]benzo[1,3]dioxole
101612 5-[(1R,4R,5R,8S)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]benzo[1,3]dioxole
130679 4-(4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenol
233333 5-[(1S,4S,5S)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]benzo[1,3]dioxole
382073 5-[(1S,4R,5S,8R)-4-benzo[1,3]dioxol-5-yl-3,7-dioxabicyclo[3.3.0]oct-8-yl]benzo[1,3]dioxole

internal high similarity DBLink | Rows returned: 2
BIOMOL 23 1.0000
SPE01504180 1.0000

active | Cluster 9360 | Additional Members: 8 | Rows returned: 1
SPE01504180 0

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