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Compound InformationSONAR Target prediction
Name:

LECANORIC ACID

Unique Identifier:SPE00200070
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:304.167 g/mol
X log p:8.169  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:4
Canonical Smiles:Cc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1
Class:depside
Source:Common constituent of lichens
Reference:Monatsh Chem 61:147 (1932)

Found: 205 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: BRE1
Replicates: 2
Raw OD Value: r im 0.4451±0.0280721
Normalized OD Score: sc h 0.9992±0.00078472
Z-Score: -0.0148±0.0135094
p-Value: 0.988188
Z-Factor: -14.7679
Fitness Defect: 0.0119
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2006-03-16 YYYY-MM-DD
Plate CH Control (+):0.039425±0.00119
Plate DMSO Control (-):0.45635000000000003±0.02043
Plate Z-Factor:0.8069
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DBLink | Rows returned: 5
10829 2-hydroxy-4-(2-hydroxy-4-methoxy-6-methyl-benzoyl)oxy-6-methyl-benzoic acid
99613 4-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-6-methyl-benzoic acid
135728 4-[4-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-6-methyl-benzoyl]oxy-2-hydroxy-6-methyl-benzoic acid
1550196 4-[4-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-6-methyl-benzoyl]oxy-2-hydroxy-6-methyl-benzoate
6954686 2-hydroxy-4-(2-hydroxy-4-methoxy-6-methyl-benzoyl)oxy-6-methyl-benzoate

internal high similarity DBLink | Rows returned: 1
SPE00200061 1.0000

nonactive | Cluster 13178 | Additional Members: 8 | Rows returned: 6
SPE00210072 0.478260869565217
SPE00200061 0.471698113207547
SPE00300001 0.463414634146341
SPE00210925 0.307692307692308
SPE00200002 0
LAT001D03 0

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