Ambonic acid
PubChem CID: 78385012
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| Compound Synonyms | Ambonic acid |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | HTNUCKDQVIZWMJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | Ambonic acid, Ambonate, 2-Methyl-3-methylidene-6-{7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}heptanoate |
| Heavy Atom Count | 34.0 |
| Compound Name | Ambonic acid |
| Kingdom | Organic compounds |
| Description | Constituent of Mangifera indica (mango). Ambonic acid is found in mango and fruits. |
| Exact Mass | 468.36 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 468.36 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 918.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 468.7 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-3-methylidene-6-(7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)heptanoic acid |
| Total Atom Stereocenter Count | 9.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Steroids and steroid derivatives |
| Inchi | InChI=1S/C31H48O3/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/h20-24H,1,8-18H2,2-7H3,(H,33,34) |
| Smiles | CC(CCC(=C)C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C |
| Xlogp | 8.9 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Cycloartanols and derivatives |
| Taxonomy Direct Parent | Cycloartanols and derivatives |
| Molecular Formula | C31H48O3 |
- 1. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:fooddb_chem_all