Compound Information | SONAR Target prediction | Name: | MADECASSIC ACID | Unique Identifier: | SPE01505250 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 456.317 g/mol | X log p: | 0.342 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 6 | Rotatable Bond Count: | 2 | Canonical Smiles: | CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1C)C(O)=O | Class: | triterpene | Source: | Centella asiatica | Reference: | Bull Soc Chim Fr 1967: 1890; Phytochemistry 7: 1385 (1968); 28: 2852 (1989) | Therapeutics: | wound healing |
Species: |
4932 |
Condition: |
POP2 |
Replicates: |
2 |
Raw OD Value: r im |
0.5971±0.032739 |
Normalized OD Score: sc h |
0.9142±0.00909724 |
Z-Score: |
-4.0076±0.0981326 |
p-Value: |
0.000063847 |
Z-Factor: |
-2.32376 |
Fitness Defect: |
9.659 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 9|F5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.90 Celcius | Date: | 2007-10-24 YYYY-MM-DD | Plate CH Control (+): | 0.040875±0.00070 | Plate DMSO Control (-): | 0.642925±0.04572 | Plate Z-Factor: | 0.7473 |
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73412 |
(1S,2R,4aS,6aS,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bR)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a -hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
181554 |
(4aS,6aS,6aS,6bR,8R,9R,10R,11S,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethy l-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
258809 |
8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetr adecahydro-1H-picene-4a-carboxylic acid |
3246316 |
(1S,2R,4aS,6aS,6aS,6bS,8R,8aR,9R,10S,11S,12aS,14bR)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a -hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
5315494 |
(1S,4aS,6bR,8R,9R,10R,11S,12aR,14bR)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3 ,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
6453339 |
(4aS,6aS,6aS,6bR,8R,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethy l-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
internal high similarity DBLink | Rows returned: 1 | |
nonactive | Cluster 1869 | Additional Members: 9 | Rows returned: 5 | |
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