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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 11 12 13 14 15 16 17 18 19 20  Next >> [100]
Species: 4932
Condition: CDC73
Replicates: 2
Raw OD Value: r im 0.4060±0.0222739
Normalized OD Score: sc h 0.9590±0.00625338
Z-Score: -1.0391±0.212029
p-Value: 0.30417
Z-Factor: -10.8219
Fitness Defect: 1.1902
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2007-09-19 YYYY-MM-DD
Plate CH Control (+):0.0399±0.00093
Plate DMSO Control (-):0.413125±0.03504
Plate Z-Factor:0.6734
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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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