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

Compound InformationSONAR Target prediction
Name:

HEXAMETHYLQUERCETAGETIN

Unique Identifier:SPE01505383
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H22O8
Molecular Weight:380.22 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COc1ccc(cc1OC)C1Oc2cc(OC)c(OC)c(OC)c2C(=O)C=1OC
Class:flavone
Source:Citrus spp
Reference:Phytochemistry 11:2283 (1972)

Found: 104 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: ASF1
Replicates: 2
Raw OD Value: r im 0.5869±0.00233345
Normalized OD Score: sc h 0.9863±0.00414277
Z-Score: -0.5811±0.16796
p-Value: 0.563922
Z-Factor: -5.57197
Fitness Defect: 0.5728
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2008-01-30 YYYY-MM-DD
Plate CH Control (+):0.043925000000000006±0.00660
Plate DMSO Control (-):0.5679000000000001±0.01814
Plate Z-Factor:0.8251
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 7222 | Additional Members: 3 | Rows returned: 1
SPE01505380 0.259259259259259

Service provided by the Mike Tyers Laboratory