Pristane
PubChem CID: 15979
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| Compound Synonyms | PRISTANE, 1921-70-6, 2,6,10,14-Tetramethylpentadecane, Norphytane, Norphytan, Pentadecane, 2,6,10,14-tetramethyl-, Pristan, meso-Pristane, EINECS 217-650-8, 2,6,10,14-tetramethyl-pentadecane, UNII-26HZV48DT1, MFCD00008952, NSC 114852, BRN 1720538, 26HZV48DT1, NSC-114852, CHEBI:53181, HSDB 8345, DTXSID70870919, 3-01-00-00570 (Beilstein Handbook Reference), NSC114852, 2,6,10,10-Tetramethylpentadecane, Meso-form, Norphytane, TMPD, Norphytane, robuoy, starbld0009645, PRISTANE [MI], 2,10,14-Tetramethylpentadecane, DTXCID80818600, 2,6,10,14 tetramethylpentadecane, HY-N7819, Pentadecane,6,10,14-tetramethyl-, Pristane, synthetic, >=98% (GC), AKOS025294812, FT11033, SY051769, DB-044784, CS-0138139, NS00014009, T0149, D92308, Q425446, Pristane, synthetic, liquid, sterile-filtered, BioReagent, Pristane(TM), synthetic 2,6,10,14-Tetramethylpentadecane Molecular biology reagent, 217-650-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Phytane diterpenoids |
| Deep Smiles | CCCCCCC)C)))))CCCCCCCCC)C)))))C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Prenol lipids |
| Description | Meso-pristane, also known as 2,6,10,14-tetramethylpentadecane or norphytan, is a member of the class of compounds known as acyclic diterpenoids. Acyclic diterpenoids are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. Meso-pristane can be found in fishes, which makes meso-pristane a potential biomarker for the consumption of this food product. |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,10,14-tetramethylpentadecane |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Diterpenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H40 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XOJVVFBFDXDTEG-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -7.215 |
| Rotatable Bond Count | 12.0 |
| State | Liquid |
| Logd | 6.773 |
| Synonyms | Bute hydrocarbon, Norphytane, Pristane, Norphytan, Pristan, 2,6,10,14-Tetramethylpentadecane, meso-Form, 2,6,10,14-Tetramethyl-pentadecane, Tetramethylpentadecane, 2, 6, 10, 14-tetramethylpentadecane (pristane), 2,6,10,-tetramethylpentadecane (pristane), 2,6,10,14-tetramethyl-pentadecane, 2,6,10,14-tetramethylpentadecane, pristane |
| Esol Class | Poorly soluble |
| Compound Name | Pristane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.313 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.313 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 268.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -6.603379799999999 |
| Inchi | InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3 |
| Smiles | CC(C)CCCC(C)CCCC(C)CCCC(C)C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Acyclic diterpenoids |
| Np Classifier Superclass | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Bassia Scoparia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644076 - 3. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Combretum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712111 - 6. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Reference:ISBN:9788172361792 - 7. Outgoing r'ship
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FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
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FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
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FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Sida Acuta (Plant) Rel Props:Reference:ISBN:9788185042138 - 20. Outgoing r'ship
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