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Compound InformationSONAR Target prediction
Name:

PRISTIMEROL

Unique Identifier:SPE01504207
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C30H42O4
Molecular Weight:424.319 g/mol
X log p:4.738  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:COC(=O)C1(C)CCC2(C)CCC3(C)C4=CCc5c(C)c(O)c(O)cc5C4(C)CCC3(C)C2C1
Source:derivative of pristimerin

Found: 98 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [98]
Species: 4932
Condition: MCK1
Replicates: 2
Raw OD Value: r im 0.5769±0.00162635
Normalized OD Score: sc h 0.9622±0.00187472
Z-Score: -1.6128±0.205807
p-Value: 0.110496
Z-Factor: -21.829
Fitness Defect: 2.2028
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2007-11-13 YYYY-MM-DD
Plate CH Control (+):0.039775000000000005±0.00048
Plate DMSO Control (-):0.587275±0.10265
Plate Z-Factor:0.3934
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DBLink | Rows returned: 1
6708798 methyl
(2R,4aR,6aS,6aR,14aS)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picen
e-2-carboxylate

internal high similarity DBLink | Rows returned: 1
SPE01504082 0.9262

active | Cluster 3682 | Additional Members: 3 | Rows returned: 1
SPE01504082 0

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