(E)-6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid
PubChem CID: 14034465
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| Compound Synonyms | (E)-6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid, 4184-34-3 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | CYHOTEDWAOHQLA-AWQFTUOYSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | Mangiferolic acid, Isomangiferolate, (2E)-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylhept-2-enoate |
| Heavy Atom Count | 33.0 |
| Compound Name | (E)-6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid |
| Kingdom | Organic compounds |
| Description | Constituent of Mangifera indica (mango). Mangiferolic acid is found in mango and fruits. |
| Exact Mass | 456.36 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 456.36 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 859.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 456.7 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylhept-2-enoic acid |
| Total Atom Stereocenter Count | 9.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Total Bond Stereocenter Count | 1.0 |
| Class | Steroids and steroid derivatives |
| Inchi | InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9+ |
| Smiles | CC(CC/C=C(\C)/C(=O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| Xlogp | 8.5 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 1.0 |
| Subclass | Cycloartanols and derivatives |
| Taxonomy Direct Parent | Cycloartanols and derivatives |
| Molecular Formula | C30H48O3 |
- 1. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:fooddb_chem_all