1-Tricosanol
PubChem CID: 18431
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| Compound Synonyms | 1-TRICOSANOL, Tricosan-1-ol, 3133-01-5, Tricosanol, Tricosyl alcohol, n-Tricosanol, K22080OPOX, MFCD00044484, UNII-K22080OPOX, CHEBI:78411, DTXSID00185260, EINECS 221-527-4, 1-Tricosanol 10 microg/mL in Methyl-tert-butyl ether, n-tricosyl alcohol, SCHEMBL377279, DTXCID10107751, AKOS015839840, HY-W127448, DB-048012, CS-0185680, NS00046050, T0403, D92333, Q27147813 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Fatty acyls |
| Description | 1-tricosanol, also known as N-tricosyl alcohol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. 1-tricosanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 1-tricosanol can be synthesized from tricosane. 1-tricosanol can also be synthesized into 22-methyltricosan-1-ol. 1-tricosanol can be found in black elderberry and coriander, which makes 1-tricosanol a potential biomarker for the consumption of these food products. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricosan-1-ol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 11.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H48O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FPLNRAYTBIFSFW-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -7.132 |
| Rotatable Bond Count | 21.0 |
| Logd | 4.321 |
| Synonyms | 1-Tricosanol, N-tricosanol, Tricosanol, Tricosyl alcohol, N-Tricosanol, N-Tricosyl alcohol, tricosan-1-ol, tricosanol, tricosyl alcohol |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | 1-Tricosanol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.371 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 340.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -7.4329431999999995 |
| Inchi | InChI=1S/C23H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h24H,2-23H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCO |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Ammi Majus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643749 - 2. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Reference:ISBN:9780896038776 - 3. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Desmodium Laxiflorum (Plant) Rel Props:Reference:ISBN:9770972795006 - 8. Outgoing r'ship
FOUND_INto/from Heliotropium Ellipticum (Plant) Rel Props:Reference:ISBN:9770972795006 - 9. Outgoing r'ship
FOUND_INto/from Oenothera Biennis (Plant) Rel Props:Source_db:npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Phyllanthus Reticulatus (Plant) Rel Props:Reference:ISBN:9770972795006 - 11. Outgoing r'ship
FOUND_INto/from Rumex Patientia (Plant) Rel Props:Reference:ISBN:9788185042084 - 12. Outgoing r'ship
FOUND_INto/from Sambucus Nigra (Plant) Rel Props:Source_db:fooddb_chem_all - 13. Outgoing r'ship
FOUND_INto/from Syzygium Cumini (Plant) Rel Props:Reference:ISBN:9788172361150