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Compound InformationSONAR Target prediction
Name:

EVERNINIC ACID

Unique Identifier:SPE00201727
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:176.083 g/mol
X log p:3.852  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:COc1cc(O)c(C(O)=O)c(O)c1
Class:aromatic
Source:oak moss lichen
Reference:Ber 56: 2556 (1923); JACS 88: 2053 (1966); Tetrahedron 24: 2707 (1968); J Chem Soc
1984: 1035,1043

Found: 11 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7000±0.0806102
Normalized OD Score: sc h 0.8391±0.0433126
Z-Score: -4.3981±1.04958
p-Value: 0.000128248
Z-Factor: -0.590209
Fitness Defect: 8.9615
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2007-11-23 YYYY-MM-DD
Plate CH Control (+):0.040075±0.00062
Plate DMSO Control (-):0.69245±0.12470
Plate Z-Factor:0.4034
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DBLink | Rows returned: 4
75231 2-hydroxy-4-methoxy-benzoic acid
117647 sodium 2-hydroxy-4-methoxy-benzoate
6708611 2,6-dihydroxy-4-methoxy-benzoic acid
6932765 2-hydroxy-4-methoxy-benzoate

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 9714 | Additional Members: 6 | Rows returned: 4
SPE01505153 0.551724137931034
SPE00201610 0.527272727272727
SPE00201081 0.458333333333333
SPE00200441 0

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