Delta-Tocopherol
PubChem CID: 92094
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| Compound Synonyms | delta-Tocopherol, 119-13-1, (+)-delta-Tocopherol, D-delta-TOCOPHEROL, 8-Methyltocol, delta-Vitamin E, delta-D-Tocopherol, .delta.-Tocopherol, Vitamine E, UNII-JU84X1II0N, (R,R,R)-delta-Tocopherol, JU84X1II0N, .delta.-Vitamin E, DTXSID1046263, CHEBI:47772, (2R,4'R,8'R)-delta-Tocopherol, (2R)-3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol, EINECS 204-299-0, DELTA-TOCOPHEROL, D-, (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol, (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol, RRR-.DELTA.-TOCOPHEROL, DTXCID9026263, .DELTA.-TOCOPHEROL [MI], DELTA-TOCOPHEROL [WHO-DD], (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol, J5.309K, NCGC00160622-01, E309, 251562-63-7, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-, RRR-.ALPHA.-TOCOPHEROL IMPURITY A [EP IMPURITY], d-tocopherol, (2R(2R*(4R*,8R*)))-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol, (2R)-3,4-DIHYDRO-2,8-DIMETHYL-2-((4R,8R)-4,8,12-TRIMETHYLTRIDECYL)-2H-1-BENZOPYRAN-6-OL, CAS-119-13-1, Rel-(2R)-3,4-Dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol, (2R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-6-chromanol, (2R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol, (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol, d-I'-Tocopherol, (2R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol, (2R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol, I'-D-Tocopherol, (2R)-2,8-Dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol, (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol, (2R-(2R*(4R*,8R*)))-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol, [2R-[2R*(4R*,8R*)]]-3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol, I'-Vitamin E, ()-delta-Tocopherol, (+)- delta -Tocopherol, bmse000547, RRR-DELTA-TOCOPHEROL, delta-Tocopherol (>90%), 2,8-Dimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol, Delta-Tocopherol (Standard), SCHEMBL886921, (R)-2,8-Dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol, CHEMBL1451395, MSK1547, (+)-delta-Tocopherol, >=90%, Tox21_111941, delta-Tocopherol, analytical standard, LMPR02020066, s6348, AKOS040758846, Tox21_111941_1, 1ST1547, FT28297, HY-113026R, NCGC00160622-02, NCGC00160622-03, NCGC00160622-04, HY-113026, CS-0059380, NS00015095, E80733, Q155751, BRD-K04657451-001-01-0, RRR-ALPHA-TOCOPHEROL IMPURITY A (EP IMPURITY), D94B2EA5-AEC1-47F2-94D1-A1F978E6C436, DELTA-TOCOPHEROL (CONSTITUENT OF LYCOPENE AND TOMATO EXTRACT CONTAINING LYCOPENE), 204-299-0, 8-Methyltocol, (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P02545, P25094, n.a., P0DTD1, P10275 |
| Iupac Name | (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Target Id | NPT483 |
| Xlogp | 10.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Quinone and hydroquinone lipids |
| Molecular Formula | C27H46O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GZIFEOYASATJEH-VHFRWLAGSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -6.986 |
| Rotatable Bond Count | 12.0 |
| State | Solid |
| Logd | 6.896 |
| Synonyms | (+)-delta-Tocopherol, (2R)-2,8-Dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol, (2R)-3,4-Dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol, (2R,4'r,8'r)-delta-Tocopherol, (R,R,R)-delta-Tocopherol, 8-Methyltocol, e309, RRR-delta-Tocopherol, (+)-Δ-tocopherol, (2R,4'r,8'r)-Δ-tocopherol, (R,R,R)-Δ-tocopherol, RRR-Δ-tocopherol, Δ-tocopherol, Vitamine e, (2R,4’R,8’r)-δ-tocopherol, D-delta-Tocopherol, D-Δ-tocopherol, delta-D-Tocopherol, delta-Vitamin e, Δ-D-tocopherol, Δ-vitamin e, delta-Tocopherol |
| Compound Name | Delta-Tocopherol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 402.35 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 402.35 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 402.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -7.978714048275865 |
| Inchi | InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1 |
| Smiles | CC1=CC(=CC2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Tocopherols |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Deliciosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Canavalia Gladiata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Prunus Mandshurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Prunus Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Torreya Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all