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Compound InformationSONAR Target prediction
Name:

DIHYDROCELASTROL

Unique Identifier:SPE01504082
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:412.308 g/mol
X log p:3.904  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:Cc1c(O)c(O)cc2c1CC=C1C2(C)CCC2(C)C3CC(C)(CCC3(C)CCC12C)C(O)=O
Class:triterpene
Source:celastrol derivative
Reference:J Org Chem 30: 1729 (1965)

Found: 480 active | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [480]
Species: 4932
Condition: SPE01504180
Replicates: 2
Raw OD Value: r im 0.0544±0.000353553
Normalized OD Score: sc h 0.1503±0.0103062
Z-Score: -10.5528±0.275455
p-Value: 1.95481e-25
Z-Factor: 0.366382
Fitness Defect: 56.8943
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|G4
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.60 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.041275±0.00454
Plate DMSO Control (-):0.43557500000000005±0.08254
Plate Z-Factor:0.3383
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DBLink | Rows returned: 2
5029154 10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid
6708673 (2R,4aR,6aS,6aR,14aS)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picen
e-2-carboxylic acid

internal high similarity DBLink | Rows returned: 1
SPE01504207 0.9262

nonactive | Cluster 3682 | Additional Members: 3 | Rows returned: 2
SPE01504238 0.494623655913979
SPE01504207 0.150684931506849

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