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Compound InformationSONAR Target prediction
Name:

GYROPHORIC ACID

Unique Identifier:SPE00200061
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H20O10
Molecular Weight:448.251 g/mol
X log p:12.844  (online calculus)
Lipinksi Failures1
TPSA69.67
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:7
Canonical Smiles:Cc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(c(O)c1)C(=O)Oc1cc(C)c(C(O)=O)c(O)c1
Source:ex Umbillicata spp and numerous other lichens

Found: 100 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [100]
Species: 4932
Condition: IDH2
Replicates: 2
Raw OD Value: r im 0.5644±0.000494975
Normalized OD Score: sc h 0.9824±0.001294
Z-Score: -0.8831±0.0432217
p-Value: 0.377418
Z-Factor: -2.49906
Fitness Defect: 0.9744
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-10-19 YYYY-MM-DD
Plate CH Control (+):0.040925±0.00060
Plate DMSO Control (-):0.56915±0.01239
Plate Z-Factor:0.9294
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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
SPE00200070 1.0000

active | Cluster 13178 | Additional Members: 8 | Rows returned: 2
SPE00210072 0.478260869565217
SPE00200002 0

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