Phytylplastoquinol
PubChem CID: 71768102
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| Compound Synonyms | phytylplastoquinol, 2,3-Dimethyl-5-phytylquinol, 2,3-dimethyl-6-phytylbenzene-1,4-diol, (R,R)-2,3-dimethyl-6-phytylhydroquinone, 2,3-dimethyl-6-phytyl-1,4-benzoquinol, 2,3-Dimethyl-5-phytyl-1,4-hydroquinone, SCHEMBL1269133, CHEBI:75921, SUFZKUBNOVDJRR-WGEODTKDSA-N, C15883, Q27145636, 2,3-dimethyl-6-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]benzene-1,4-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | SUFZKUBNOVDJRR-WGEODTKDSA-N |
| Rotatable Bond Count | 14.0 |
| Heavy Atom Count | 30.0 |
| Compound Name | Phytylplastoquinol |
| Description | Phytylplastoquinol, also known as 2,3-dimethyl-6-phytylbenzene-1,4-diol, is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Phytylplastoquinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Phytylplastoquinol can be found in spinach, which makes phytylplastoquinol a potential biomarker for the consumption of this food product. |
| Exact Mass | 416.365 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 416.365 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 469.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 416.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 2,3-dimethyl-5-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]benzene-1,4-diol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h17,19-22,29-30H,8-16,18H2,1-7H3/b23-17+/t21-,22-/m1/s1 |
| Smiles | CC1=C(C=C(C(=C1C)O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O |
| Xlogp | 11.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C28H48O2 |
- 1. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all