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Compound InformationSONAR Target prediction
Name:

CAPSAICIN

Unique Identifier:SPE01501128
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:278.198 g/mol
X log p:10.788  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:10
Canonical Smiles:COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O
Class:lipid
Source:Capsicum spp
Reference:J Chem Soc 1955: 1025; Life Sci 25: 1273 (1979); Trends Pharmacol Sci 11: 330 (1990)
Therapeutics:analgesic (topical), depletes Substance P, neurotoxic

Found: 205 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.8930±0.000141421
Normalized OD Score: sc h 1.0112±0.00502027
Z-Score: 0.9404±0.114734
p-Value: 0.348622
Z-Factor: -1.11567
Fitness Defect: 1.0538
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:2|F6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09300000000000001±0.00526
Plate DMSO Control (-):0.94575±0.01308
Plate Z-Factor:0.9370
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DBLink | Rows returned: 4
2548 N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide
1548942 (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide
1548943 (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide
6440227 (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-2,8-dimethyl-non-6-enamide

internal high similarity DBLink | Rows returned: 0

active | Cluster 16111 | Additional Members: 9 | Rows returned: 1
LOPAC 01216 0.528571428571429

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