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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 181 182 183 184 185 186 187 188 189 190  Next >> [192]
Species: 4932
Condition: VPS35
Replicates: 2
Raw OD Value: r im 0.7224±0.00643467
Normalized OD Score: sc h 1.0300±0.00374802
Z-Score: 1.5042±0.216185
p-Value: 0.137043
Z-Factor: -2.17904
Fitness Defect: 1.9875
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|C11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-02-20 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00075
Plate DMSO Control (-):0.689375±0.02110
Plate Z-Factor:0.9223
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DBLink | Rows returned: 44<< Back 1 2 3 4 5 6 7 8
11776039 [(3S,5R)-2-hydroxy-2,3-dimethyl-nonan-5-yl] acetate
11800038 [(3S,5R,6S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2
,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] 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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