(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal
PubChem CID: 101716226
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| Compound Synonyms | (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal, Apo-14'-zeaxanthinal, CHEBI:143060, QVM |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | BCNPTKKIVMTZFO-UWYNECTCSA-N |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 24.0 |
| Compound Name | (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal |
| Description | Apo-14'-zeaxanthinal is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Apo-14'-zeaxanthinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-14'-zeaxanthinal can be found in a number of food items such as pepper (c. annuum), yellow bell pepper, italian sweet red pepper, and orange bell pepper, which makes apo-14'-zeaxanthinal a potential biomarker for the consumption of these food products. |
| Exact Mass | 326.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.225 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 622.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 326.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 5.0 |
| Inchi | InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9+,18-11+/t20-/m1/s1 |
| Smiles | CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C |
| Xlogp | 5.2 |
| Defined Bond Stereocenter Count | 5.0 |
| Molecular Formula | C22H30O2 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all