Plastochromanol
PubChem CID: 53394606
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| Compound Synonyms | Plastochromanol, D-gamma-Tocotrienol, (c)(3/4)-Tocotrienol, CHEBI:143048, BCP27814, AKOS030255142, 2,7,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 625.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7,8-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 8.9 |
| Is Pains | False |
| Molecular Formula | C28H42O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OTXNTMVVOOBZCV-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Rotatable Bond Count | 9.0 |
| Compound Name | Plastochromanol, D-gamma-Tocotrienol, (c)(3/4)-Tocotrienol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.318 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 410.318 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 410.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -7.5721804 |
| Inchi | InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3 |
| Smiles | CC1=C(C=C2CCC(OC2=C1C)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients