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Compound InformationSONAR Target prediction
Name:

MYRICETIN

Unique Identifier:SPE01504065
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H10O8
Molecular Weight:308.156 g/mol
X log p:9.93000000000001  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:1
Canonical Smiles:Oc1cc(O)c2C(=O)C(O)=C(Oc2c1)c1cc(O)c(O)c(O)c1
Source:ex Myrica spp
Reference:J Chem Soc 81: 203 (1902); PNAS 97: 4790 (2000)
Therapeutics:antiHIV, topoisomerase II inhibitor
Generic_name:2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDR
Chemical_iupac_name:3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
Drug_type:Experimental
Drugbank_id:EXPT02265
Drug_category:Phosphatidylinositol 3-Kinase Catalytic Subu inhibitor
Organisms_affected:-1

Found: 101 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7107±0.00148492
Normalized OD Score: sc h 1.0178±0.00212516
Z-Score: 0.9665±0.10088
p-Value: 0.335034
Z-Factor: -9.396
Fitness Defect: 1.0935
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.10 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04245±0.00129
Plate DMSO Control (-):0.685975±0.12244
Plate Z-Factor:0.4058
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DBLink | Rows returned: 3
5280343 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one
5281672 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
5284452 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one dihydrate

internal high similarity DBLink | Rows returned: 12<< Back 1 2
SPE00310031 0.9820
SPE01502247 0.9878
SPE01500672 1.0000
LOPAC 01176 1.0000
LOPAC 01061 1.0000
XBX 00307 1.0000

nonactive | Cluster 10732 | Additional Members: 22 | Rows returned: 82 Next >> 
SPE01505143 0.464285714285714
LOPAC 01047 0.421052631578947
SPE01502259 0.421052631578947
LOPAC 01061 0.326923076923077
LAT007F04 0
LOPAC 01176 0

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