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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 11 12 13 14 15 16 17 18 19 20  Next >> [192]
Species: 4932
Condition: BRE1
Replicates: 2
Raw OD Value: r im 0.6906±0.00346482
Normalized OD Score: sc h 0.9732±0.000900517
Z-Score: -1.0844±0.0275266
p-Value: 0.278264
Z-Factor: -1.21982
Fitness Defect: 1.2792
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2006-03-16 YYYY-MM-DD
Plate CH Control (+):0.039474999999999996±0.00197
Plate DMSO Control (-):0.6869000000000001±0.01425
Plate Z-Factor:0.9164
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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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