2-Methyl-6-phytylhydroquinone
PubChem CID: 23724601
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| Compound Synonyms | 2-methyl-6-phytylhydroquinone, 54432-31-4, CHEBI:75406, 2-Methyl-6-phytyl-1,4-hydroquinone, 2-methyl-6-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]benzene-1,4-diol, 2-methyl-6-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]benzene-1,4-diol, 2-methyl-6-((2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)benzene-1,4-diol, MPBQ, Q27145280 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Description | Precursor of tocopherol synth. in spinach chloroplasts. 2-Methyl-6-phytylhydroquinone is found in green vegetables and spinach. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 442.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-6-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]benzene-1,4-diol |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 10.6 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C27H46O2 |
| Inchi Key | GTWCNYRFOZKWTL-XQNSMLJCSA-N |
| Rotatable Bond Count | 14.0 |
| Synonyms | 2-Methyl-6-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-benzenediol, 9CI, 6-Phytyltoluquinol |
| Substituent Name | Diterpenoid, Prenylbenzoquinol, Nitrotoluene, O-cresol, M-cresol, Hydroquinone, Toluene, Phenol, Benzenoid, Monocyclic benzene moiety, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Compound Name | 2-Methyl-6-phytylhydroquinone |
| Kingdom | Organic compounds |
| Exact Mass | 402.35 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 402.35 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 402.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(25)29/h16,18-22,28-29H,7-15,17H2,1-6H3/b23-16+ |
| Smiles | CC1=CC(=CC(=C1O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all