| Ligand Name : |
Ursolic acid |
| Systematic Names : |
Ursolic acid; Prunol; Malol; Urson; 3beta-Hydroxyurs-12-en-28-oic acid |
| Molecular Formula : |
C30H48O3 |
| Molecular Weight : |
g/mol |
| IUPAC Name : |
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Canonical SMILES : |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
| Ligand Description : |
Ursolic acid is present in many plants, such as Mirabilis jalapa, as well as in many fruits and herbs used in daily life (e.g. apples, basil, bilberries, cranberries, elder flower, peppermint, rosemary, lavender, oregano, thyme, hawthorn, and prunes). Apple peels contain large quantities of ursolic acid and related compounds. Ursolic acid is used as a cosmetics additive. Ursolic acid can serve as a starting material for synthesis of more potent bioactive derivatives, such as experimental antitumor agents. |
| Related Plants : |
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| Ligand Related Dockings : |
NA |
| Ligand References : |
- https://en.wikipedia.org/wiki/Ursolic_acid
- https://pubchem.ncbi.nlm.nih.gov/compound/64945
- http://chem.sis.nlm.nih.gov/chemidplus/name/ursolic%20acid
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