8'-Apo-b-caroten-8'-ol
PubChem CID: 157010109
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| Compound Synonyms | 8'-Apo-b-caroten-8'-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | YKSARTKNUYWHKA-IPIGPKAOSA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | 8'-Apo-b-caroten-8'-al, 8'-Alcohol, 8'-Apo-b-caroten-8'-ol |
| Heavy Atom Count | 31.0 |
| Compound Name | 8'-Apo-b-caroten-8'-ol |
| Description | 8'-apo-b-caroten-8'-ol is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. 8'-apo-b-caroten-8'-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 8'-apo-b-caroten-8'-ol can be found in mandarin orange (clementine, tangerine), which makes 8'-apo-b-caroten-8'-ol a potential biomarker for the consumption of this food product. |
| Exact Mass | 418.324 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 418.324 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 858.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 418.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,6E,8E,10E,12E,14Z,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-1-ol |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 8.0 |
| Inchi | InChI=1S/C30H42O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,31H,12,19,22-23H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17-,27-18+ |
| Smiles | CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\CO)\C)/C |
| Xlogp | 9.5 |
| Defined Bond Stereocenter Count | 8.0 |
| Molecular Formula | C30H42O |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:fooddb_chem_all