Accession Number: pdtdbl00195

Details of the Ligand

Ligand Name : Pomolic acid
Systematic Names : Pomolic acid; (3|A)-3,19-dihydroxyurs-12-en-28-oic acid; (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Formula : C30H48O4
Molecular Weight : g/mol
IUPAC Name : (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES : CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1(C)O)C)C(=O)O
Ligand Description :
Pomolic acid is found in apple. Pomolic acid is a constituent of apple peel. Pomolic acid belongs to the family of Ursane Triterpenes. These are triterpenes whose structure is based on the pentacyclic ursane skeleton,.
Related Plants :
Lemon balm
Ligand Related Dockings :
NA
Ligand References :
  1. https://pubchem.ncbi.nlm.nih.gov/compound/Pomolic_acid
  2. http://chem.sis.nlm.nih.gov/chemidplus/name/pomolic%20acid
  3. http://www.hmdb.ca/metabolites/HMDB35106
Pomolic acid

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