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Compound InformationSONAR Target prediction
Name:

HYPOPROTOCETRARIC ACID

Unique Identifier:SPE00200489
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H16O7
Molecular Weight:328.188 g/mol
X log p:1.947  (online calculus)
Lipinksi Failures0
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:1
Canonical Smiles:Cc1cc(O)c(C)c2Oc3c(C)c(C(O)=O)c(O)c(C)c3OC(=O)c12
Source:constitutent of lichens: Ramalina spp.
Reference:Phytochemistry 4: 951 (1965)

Found: 101 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: BIK1
Replicates: 2
Raw OD Value: r im 0.6557±0.00657609
Normalized OD Score: sc h 0.9734±0.000224431
Z-Score: -1.1666±0.000476468
p-Value: 0.243372
Z-Factor: -15.9947
Fitness Defect: 1.4132
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:21|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2007-11-08 YYYY-MM-DD
Plate CH Control (+):0.0414±0.00129
Plate DMSO Control (-):0.661125±0.13445
Plate Z-Factor:0.2855
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DBLink | Rows returned: 1
627044

internal high similarity DBLink | Rows returned: 2
SPE01504106 0.9200
SPE00200040 0.9262

active | Cluster 16309 | Additional Members: 2 | Rows returned: 1
SPE00200054 0

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