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Compound InformationSONAR Target prediction
Name:

ACACETIN

Unique Identifier:SPE00200499
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:272.168 g/mol
X log p:15.05  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:COc1ccc(cc1)C1Oc2cc(O)cc(O)c2C(=O)C=1
Class:flavone
Source:Robinia pseudoacacia
Reference:J Pharm Soc Japan 73: 481 (1953); Experientia 47: 195 (1991); Biochem Pharmacol 47:
2063 (1994)
Therapeutics:antiinflammatory, spasmolytic agent, antioxidant

Found: 21 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: BY4741
Replicates: 2
Raw OD Value: r im 0.7233±0.0219203
Normalized OD Score: sc h 0.7676±0.0276757
Z-Score: -4.5050±0.616813
p-Value: 0.0000240096
Z-Factor: 0.221172
Fitness Defect: 10.6371
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2008-08-15 YYYY-MM-DD
Plate CH Control (+):0.04285±0.00123
Plate DMSO Control (-):0.7032750000000001±0.01236
Plate Z-Factor:0.9295
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DBLink | Rows returned: 1
5280442 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 22<< Back 1 2 3 4 Next >> 
BTB 14489 0.9353
SPE01504115 0.9384
LOPAC 01016 0.9384
SPE01504068 0.9456
BTB 10082 0.9496
SPE00240958 0.9496

active | Cluster 1884 | Additional Members: 20 | Rows returned: 5
SPE01500724 0.345454545454545
SPE01504115 0.294117647058823
SPE01505144 0.191489361702128
SPE01500709 0.191489361702128
Prest122 0.1875

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