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Compound InformationSONAR Target prediction
Name:

CEDRELONE

Unique Identifier:SPE00100009
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:392.275 g/mol
X log p:9.314  (online calculus)
Lipinksi Failures1
TPSA55.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:1
Canonical Smiles:CC1(C)C(=O)C=CC2(C)C3CCC4(C)C(CC5OC54C3(C)C(=O)C(O)=C12)c1cocc1
Class:limonoid
Source:Cedrela species
Reference:J Chem Soc 1963: 2506, 2515

Found: 438 active | as graph: single | with analogs [1] << Back 421 422 423 424 425 426 427 428 429 430  Next >> [438]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.6579±0.00629325
Normalized OD Score: sc h 0.8080±0.0146214
Z-Score: -5.7522±0.030379
p-Value: 0.0000000088767
Z-Factor: 0.460902
Fitness Defect: 18.5398
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-05-13 YYYY-MM-DD
Plate CH Control (+):0.041374999999999995±0.00264
Plate DMSO Control (-):0.6988±0.01639
Plate Z-Factor:0.8978
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DBLink | Rows returned: 4
3083689
5136005
6548070
6708509

internal high similarity DBLink | Rows returned: 1
SPE00100005 0.9595

active | Cluster 9059 | Additional Members: 3 | Rows returned: 2
SPE00100005 0
LAT001A02 0

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