| Compound Information | SONAR Target prediction | | Name: | alpha-MANGOSTIN | | Unique Identifier: | SPE01504015 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 384.253 g/mol | | X log p: | 9.508 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 35.53 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | COc1c(O)cc2Oc3cc(O)c(CC=C(C)C)c(O)c3C(=O)c2c1CC=C(C)C | | Class: | xanthone | | Source: | Garcinia mangostana, Hydnocarpus octandra, H venenata | | Reference: | JACS 80:1691 (1958); Aust J Chem 23:2539 (1970); Tetrahedron 27:3919 (1971);
Phytochemistry 12:232 (1973) |
| Species: |
4932 |
| Condition: |
PFK2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4131±0.0371938 |
| Normalized OD Score: sc h |
0.8216±0.0449173 |
| Z-Score: |
-5.7225±1.38455 |
| p-Value: |
0.00000105024 |
| Z-Factor: |
-0.171087 |
| Fitness Defect: |
13.7665 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 15|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.30 Celcius | | Date: | 2008-05-10 YYYY-MM-DD | | Plate CH Control (+): | 0.040900000000000006±0.00065 | | Plate DMSO Control (-): | 0.502325±0.01249 | | Plate Z-Factor: | 0.8970 |
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| DBLink | Rows returned: 1 | |
| 5281650 |
1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 18131 | Additional Members: 2 | Rows returned: 1 | |
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