| Compound Information | SONAR 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 Failures | 0 | | TPSA | 17.07 | | 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) |
| Species: |
4932 |
| Condition: |
SWE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6691±0.0323148 |
| Normalized OD Score: sc h |
0.8975±0.00432938 |
| Z-Score: |
-3.0754±0.120694 |
| p-Value: |
0.00218148 |
| Z-Factor: |
0.214505 |
| Fitness Defect: |
6.1278 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|D11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.70 Celcius | | Date: | 2006-04-19 YYYY-MM-DD | | Plate CH Control (+): | 0.037375±0.00125 | | Plate DMSO Control (-): | 0.73165±0.01615 | | Plate Z-Factor: | 0.9344 |
|  png
ps
pdf |
| 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 | |
| active | Cluster 3682 | Additional Members: 3 | Rows returned: 1 | |
|
