Apo-11-zeaxanthinal
PubChem CID: 101148957
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| Compound Synonyms | Apo-11-zeaxanthinal |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | YMYPOEDCYSNBAO-NECKEDLISA-N |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 17.0 |
| Compound Name | Apo-11-zeaxanthinal |
| Description | Apo-11-zeaxanthinal is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Apo-11-zeaxanthinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-11-zeaxanthinal can be found in a number of food items such as pepper (c. annuum), orange bell pepper, italian sweet red pepper, and red bell pepper, which makes apo-11-zeaxanthinal a potential biomarker for the consumption of these food products. |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2E,4E)-5-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpenta-2,4-dienal |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C15H22O2/c1-11(7-8-16)5-6-14-12(2)9-13(17)10-15(14,3)4/h5-8,13,17H,9-10H2,1-4H3/b6-5+,11-7+/t13-/m1/s1 |
| Smiles | CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=O)/C |
| Xlogp | 2.6 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C15H22O2 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all