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Compound InformationSONAR Target prediction
Name:

SENECRASSIDIOL 6-ACETATE

Unique Identifier:SPE00300052
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:252.18 g/mol
X log p:-0.508  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:CC(=O)OC1CCC2(O)CC1(C)CCC1C2CC1(C)C
Class:sesquiterpene
Source:derivative Senecio crassissimus
Reference:Phytochemistry 20: 469 (1981)

Found: 192 nonactive as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [192]
Species: 4932
Condition: ABP1
Replicates: 2
Raw OD Value: r im 0.7096±0.00106066
Normalized OD Score: sc h 1.0197±0.00518478
Z-Score: 0.9983±0.216095
p-Value: 0.323776
Z-Factor: -2.47903
Fitness Defect: 1.1277
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|C11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2007-12-20 YYYY-MM-DD
Plate CH Control (+):0.041550000000000004±0.00065
Plate DMSO Control (-):0.68205±0.01405
Plate Z-Factor:0.9296
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DBLink | Rows returned: 44<< Back 1 2 3 4 5 6 7 8 Next >> 
386105 n/a
390369 n/a
536298 (3-hydroxy-2,2,6-trimethyl-cyclohexyl)methyl acetate
539330 (4-acetyloxy-1-bicyclo[2.2.2]octyl) acetate
539537 [2-(2-acetyloxycyclopentyl)cyclopentyl] acetate
540121 [3-(2-acetyloxypropan-2-yl)-1-adamantyl] acetate

internal high similarity DBLink | Rows returned: 5
SPE00300133 0.9143
NRB 03694 0.9412
SPE00310015 0.9412
NRB 01908 1.0000
NRB 03747 1.0000

active | Cluster 4651 | Additional Members: 2 | Rows returned: 1
SPE00300133 0

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