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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: IRE1
Replicates: 2
Raw OD Value: r im 0.6906±0.0127279
Normalized OD Score: sc h 0.8467±0.0100512
Z-Score: -4.2039±0.143143
p-Value: 0.0000287692
Z-Factor: 0.451545
Fitness Defect: 10.4562
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2007-11-23 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00049
Plate DMSO Control (-):0.70395±0.12541
Plate Z-Factor:0.4070
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DBLink | Rows returned: 1
5280442 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 221 2 3 4 Next >> 
BTB 14496 0.9013
RJC 01511 0.9065
SPE01400010 0.9116
BTB 14494 0.9155
SPE01504002 0.9241
JFD 02380 0.9315

nonactive | Cluster 1884 | Additional Members: 20 | Rows returned: 121 2 Next >> 
SPE01500717 0.452830188679245
SPE01500724 0.345454545454545
SPE01504115 0.294117647058823
Prest49 0.24
Prest1131 0.191489361702128
SPE01505144 0.191489361702128

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