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: |
pdr_yCG196 |
Replicates: |
2 |
Raw OD Value: r im |
0.1315±0.0205061 |
Normalized OD Score: sc h |
0.1784±0.0299604 |
Z-Score: |
-27.4738±0.793492 |
p-Value: |
0 |
Z-Factor: |
0.775942 |
Fitness Defect: |
INF |
Bioactivity Statement: |
Toxic |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 19|F3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2010-08-10 YYYY-MM-DD | Plate CH Control (+): | 0.09925±0.00547 | Plate DMSO Control (-): | 0.9100000000000001±0.02790 | Plate Z-Factor: | 0.8705 |
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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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