6'-Hydroxylutein
PubChem CID: 157010018
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| Compound Synonyms | 6'-Hydroxylutein |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | SYNAJGXENWULAN-TURNOCAQSA-N |
| Rotatable Bond Count | 10.0 |
| Synonyms | 6-HYDROXY-LUTEIN |
| Heavy Atom Count | 43.0 |
| Compound Name | 6'-Hydroxylutein |
| Description | 6'-hydroxylutein is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6'-hydroxylutein can be found in common thyme, which makes 6'-hydroxylutein a potential biomarker for the consumption of this food product. |
| Exact Mass | 584.423 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 584.423 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1330.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 584.9 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,4R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 9.0 |
| Inchi | InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-24,26,35-36,41-43H,25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t35-,36+,40-/m1/s1 |
| Smiles | CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]2(C(=C[C@@H](CC2(C)C)O)C)O)/C)/C |
| Xlogp | 9.9 |
| Defined Bond Stereocenter Count | 9.0 |
| Molecular Formula | C40H56O3 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all