1-Eicosanol
PubChem CID: 12404
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-EICOSANOL, Icosan-1-ol, 629-96-9, Arachidyl alcohol, Arachidic alcohol, Arachic alcohol, Eicosyl alcohol, EICOSANOL, N-Eicosanol, eicosan-1-ol, 1-Icosanol, N-1-Eicosanol, Pri-N-eicosyl alcohol, NSC 120887, HSDB 5731, 1QR1QRA9BU, Arachinyl alcohol, 28679-05-2, EINECS 211-119-4, MFCD00002938, Eicosanol-(1), CHEBI:75627, AI3-36485, NSC-120887, 1-EICOSANOL [HSDB], DTXSID0027272, EC 211-119-4, ARACHIDYL ALCOHOL [USP-RS], ARACHIDYL ALCOHOL (USP-RS), UNII-1QR1QRA9BU, nEicosanol, arachyl alcohol, a-eicosanol, n1Eicosanol, Icosan1ol, 1-Ecosanol, 1-Prydroxyeicosane, n-eicosan-1-ol, prinEicosyl alcohol, N-Eicosanol (d41), 1-Eicosanol, 98%, 1-Eicosanol (Standard), SCHEMBL108302, CHEMBL451717, DTXCID007272, QSPL 202, 1-icosanol (ACD/Name 4.0), ARACHIDYL ALCOHOL [INCI], HY-W004263R, ZNA55389, LMFA05000221, NSC120887, AKOS015839826, CS-W004263, FA68034, HY-W004263, 1-Eicosanol, technical, >=90% (GC), 1-Eicosanol, purum, >=97.0% (GC), BS-51501, DB-250389, E0004, NS00004340, H10676, Q4783532, ABA1F4B5-39FD-4206-A0A7-70D182257EEE, Arachidyl alcohol, United States Pharmacopeia (USP) Reference Standard, 211-119-4 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Description | Arachidyl alcohol, also 1-icosanol, is a waxy substance used as an emollient in cosmetics. It is a straight-chain fatty alcohol., Arachidyl alcohol, also 1-icosanol, is a waxy substance used as an emollient in cosmetics. It is a straight-chain fatty alcohol., , from wikipedia. Eicosan-1-ol is found in flaxseed, black elderberry, and potato. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | Q8WVX9, Q96K12, Q58HT5, Q6E213 |
| Uniprot Id | O00116, Q8WVX9, Q96K12, Q58HT5, Q6E213 |
| Iupac Name | icosan-1-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H42O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTFJIXJJCSYFAL-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -6.898 |
| Rotatable Bond Count | 18.0 |
| State | Solid |
| Logd | 4.171 |
| Synonyms | 1-Eicosanol, 1-Icosanol, 1-Icosanol (acd/name 4.0), 1-Prydroxyeicosane, Arachic alcohol, Arachidic alcohol, ARACHIDIC ALCOHOL, 99%, Arachidyl alcohol, Arachinyl alcohol, Eicosan-1-ol, Eicosanol, Eicosanol-(1), Eicosyl alcohol, icosan-1-ol, Icosanol, n-1-Eicosanol, N-Eicosanol, Pri-n-eicosyl alcohol, N-1-Eicosanol, 1-eicosanol, arachidyl alcohol, eicosan-1-ol, eicosanol, n-1-eicosanol |
| Substituent Name | Long chain fatty alcohol, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | 1-Eicosanol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.324 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.324 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 298.5 |
| 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 | -6.349440999999999 |
| Inchi | InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCO |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Adiantum Caudatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2004.10643400 - 3. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Reference:ISBN:9780896038776 - 4. Outgoing r'ship
FOUND_INto/from Angelica Archangelica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699855 - 5. Outgoing r'ship
FOUND_INto/from Argania Spinosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.977563 - 6. Outgoing r'ship
FOUND_INto/from Brunfelsia Grandiflora (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Bryum Rutilans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1606 - 9. Outgoing r'ship
FOUND_INto/from Citrullus Colocynthis (Plant) Rel Props:Reference:ISBN:9788172361792 - 10. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Eruca Vesicaria (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1079 - 12. Outgoing r'ship
FOUND_INto/from Hedysarum Multijugum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1711 - 14. Outgoing r'ship
FOUND_INto/from Leea Indica (Plant) Rel Props:Reference:ISBN:9770972795006 - 15. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:fooddb_chem_all - 16. Outgoing r'ship
FOUND_INto/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Oenanthe Javanica (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 20. Outgoing r'ship
FOUND_INto/from Oenothera Biennis (Plant) Rel Props:Source_db:npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Phlomis Regelii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Phyllanthus Emblica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Pinus Canariensis (Plant) Rel Props:Reference:ISBN:9788185042114 - 24. Outgoing r'ship
FOUND_INto/from Pinus Pinaster (Plant) Rel Props:Reference:ISBN:9788185042114 - 25. Outgoing r'ship
FOUND_INto/from Plumbago Indica (Plant) Rel Props:Reference:ISBN:9788172361150 - 26. Outgoing r'ship
FOUND_INto/from Prosopis Farcta (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1652 - 27. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1553637 - 28. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1989.9697787 - 29. Outgoing r'ship
FOUND_INto/from Sambucus Nigra (Plant) Rel Props:Source_db:fooddb_chem_all - 30. Outgoing r'ship
FOUND_INto/from Smilax Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all - 32. Outgoing r'ship
FOUND_INto/from Vallisneria Spiralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all