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Compound InformationSONAR Target prediction
Name:

CHRYSOPHANOL

Unique Identifier:SPE00300545
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:244.158 g/mol
X log p:9.805  (online calculus)
Lipinksi Failures1
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:Cc1cc(O)c2c(=O)c3c(O)cccc3c(=O)c2c1
Class:anthraquinone
Source:Cassia and Rumex spp
Reference:Phytochemistry 11: 2122 (1972)

Found: 21 active | as graph: single | with analogs << Back 11 12 13 14 15 16 17 18 19 20  Next >> 
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.1454±0.00827315
Normalized OD Score: sc h 0.5118±0.00273389
Z-Score: -4.2470±0.24217
p-Value: 0.0000279134
Z-Factor: 0.603551
Fitness Defect: 10.4864
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2006-04-25 YYYY-MM-DD
Plate CH Control (+):0.039575±0.00152
Plate DMSO Control (-):0.33492500000000003±0.02042
Plate Z-Factor:0.7685
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DBLink | Rows returned: 1
10208 1,8-dihydroxy-3-methyl-anthracene-9,10-dione

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7565 | Additional Members: 10 | Rows returned: 6
SPE00300038 0.564102564102564
SPE01505129 0.475
LAT015F08 0.333333333333333
LAT005F04 0.290322580645161
SPE00211468 0
LAT005A05 0

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