Ambolic acid
PubChem CID: 78385010
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| Compound Synonyms | Ambolic acid, CHEBI:175693, 3b-Hydroxy-24-methylene-25R-cycloartan-26-oic acid, 6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methyl-3-methylideneheptanoic acid |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | FCQSIIVNJCMJLB-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | 3b-Hydroxy-24-methylene-25R-cycloartan-26-oic acid |
| Heavy Atom Count | 34.0 |
| Compound Name | Ambolic acid |
| Description | Constituent of Mangifera indica (mango). Ambolic acid is found in mango and fruits. |
| Exact Mass | 470.376 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 470.376 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 876.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 470.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methyl-3-methylideneheptanoic acid |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C31H50O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-25,32H,1,8-18H2,2-7H3,(H,33,34) |
| Smiles | CC(CCC(=C)C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| Xlogp | 9.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C31H50O3 |
- 1. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:fooddb_chem_all