Phytol, acetate
CNP0248382.4 · C22H42O2 · View on COCONUT ↗
Identifiers
| Name | Phytol, acetate |
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| IUPAC Name | [(E)-3,7,11,15-tetramethylhexadec-2-enyl] acetate |
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| COCONUT ID | CNP0248382.4 |
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| InChIKey | JIGCTXHIECXYRJ-LTGZKZEYSA-N |
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| InChI | InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+ |
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| SMILES | CC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C |
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Properties
| Molecular Formula | C22H42O2 |
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| Molecular Weight | 338.58 |
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| Exact Mass | 338.31848 |
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| Log P (ALogP) | 6.93 |
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| TPSA | 26.30 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 14 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.25 |
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| NP-likeness | 1.41 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Diterpenoids |
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| NP Class | Phytane diterpenoids |
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| Chemical Superclass | |
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| Chemical Class | |
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| Chemical Subclass | |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
