Sintaxanthin
PubChem CID: 131751825
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| Compound Synonyms | Sintaxanthin, 7'-Apo-b-caroten-8'-one, 7',8'-Dihydro-7'-apo-b-caroten-8'-one, 7',8'-Dihydro-7'-apo-beta-caroten-8'-one |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | SLQHGWZKKZPZEK-ZQFWBWLTSA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | 7'-Apo-b-caroten-8'-one, 7',8'-Dihydro-7'-apo-b-caroten-8'-one, 7',8'-Dihydro-7'-apo-beta-caroten-8'-one |
| Heavy Atom Count | 32.0 |
| Compound Name | Sintaxanthin |
| Description | Isolated from the exocarp of Sinton citrangequat (a Citrus/Poncirus/Fortunella hybrid). Sintaxanthin is found in sweet orange and citrus. |
| Exact Mass | 430.324 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 430.324 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 931.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 430.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E,7E,9Z,11E,13E,15Z,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-2-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 8.0 |
| Inchi | InChI=1S/C31H42O/c1-24(14-9-10-15-25(2)18-12-19-27(4)29(6)32)16-11-17-26(3)21-22-30-28(5)20-13-23-31(30,7)8/h9-12,14-19,21-22H,13,20,23H2,1-8H3/b10-9-,16-11+,18-12+,22-21+,24-14+,25-15+,26-17-,27-19+ |
| 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)/C(=O)C)\C)/C |
| Xlogp | 9.6 |
| Defined Bond Stereocenter Count | 8.0 |
| Molecular Formula | C31H42O |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all