Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.7193±0.0209304
Normalized OD Score: sc h 1.0265±0.0117473
Z-Score: 0.5486±0.200232
p-Value: 0.587046
Z-Factor: -2.44245
Fitness Defect: 0.5327
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.038775000000000004±0.00221
Plate DMSO Control (-):0.673625±0.01379
Plate Z-Factor:0.9421
png
ps
pdf

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

active | Cluster 10748 | Additional Members: 6 | Rows returned: 2
SPE01505140 0.43859649122807
SPE01505345 0.352941176470588

Service provided by the Mike Tyers Laboratory