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Compound InformationSONAR Target prediction
Name:

FERULIC ACID

Unique Identifier:SPE01501017
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:184.105 g/mol
X log p:10.016  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:COc1cc(C=CC(O)=O)ccc1O
Class:aromatic
Source:widely distributed in plants
Reference:J Org Chem 16: 216 (1951)
Therapeutics:antineoplastic, choleretic, food preservative

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: CHS3
Replicates: 2
Raw OD Value: r im 0.6937±0.0114551
Normalized OD Score: sc h 1.0129±0.00796174
Z-Score: 0.5897±0.356093
p-Value: 0.56774
Z-Factor: -3.94481
Fitness Defect: 0.5661
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:1|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2008-06-20 YYYY-MM-DD
Plate CH Control (+):0.040575±0.00053
Plate DMSO Control (-):0.66275±0.01069
Plate Z-Factor:0.9416
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DBLink | Rows returned: 6
709 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
445858 (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
1548883 (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
5082944 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
5321361 sodium (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
5460310 (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate

internal high similarity DBLink | Rows returned: 2
SPE00290032 0.9063
SPE00210567 0.9508

nonactive | Cluster 10748 | Additional Members: 6 | Rows returned: 3
SPE01505140 0.43859649122807
SPE01505345 0.352941176470588
LAT005C02 0

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