3-Hydroxysintaxanthin
PubChem CID: 131751826
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| Compound Synonyms | 3-Hydroxysintaxanthin, CHEBI:175580, (3E,5E,7E,9Z,11E,13E,15Z,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | PJAPZIZSFGWFOQ-MBEKKZSISA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | 3-Hydroxysintaxanthin |
| Heavy Atom Count | 33.0 |
| Compound Name | 3-Hydroxysintaxanthin |
| Description | Isolated from the peel of Sinton citrangequat. 3-Hydroxysintaxanthin is found in sweet orange, citrus, and avocado. |
| Exact Mass | 446.318 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 446.318 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 966.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 446.7 |
| 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)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 8.0 |
| Inchi | InChI=1S/C31H42O2/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(6)32)15-11-16-25(3)19-20-30-27(5)21-29(33)22-31(30,7)8/h9-20,29,33H,21-22H2,1-8H3/b10-9-,15-11+,17-12+,20-19+,23-13+,24-14+,25-16-,26-18+ |
| Smiles | CC1=C(C(CC(C1)O)(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 | 8.3 |
| Defined Bond Stereocenter Count | 8.0 |
| Molecular Formula | C31H42O2 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Source_db:fooddb_chem_all