(~{Z},2~{R},3~{S},4~{R})-tricos-5-ene-1,2,3,4-tetrol
CNP0425855.1 · C23H46O4 · View on COCONUT ↗
Identifiers
| IUPAC Name | (~{Z},2~{R},3~{S},4~{R})-tricos-5-ene-1,2,3,4-tetrol |
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| COCONUT ID | CNP0425855.1 |
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| InChIKey | RHCDVIUYKKEJAD-LMUMXFAFSA-N |
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| InChI | InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)23(27)22(26)20-24/h18-19,21-27H,2-17,20H2,1H3/b19-18-/t21-,22-,23+/m1/s1 |
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| SMILES | CCCCCCCCCCCCCCCCC/C=C\[C@@H](O)[C@H](O)[C@H](O)CO |
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Properties
| Molecular Formula | C23H46O4 |
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| Molecular Weight | 386.62 |
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| Exact Mass | 386.33961 |
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| Log P (ALogP) | 4.88 |
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| TPSA | 80.92 |
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| H-Bond Donors / Acceptors | 4 / 4 |
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| Rotatable Bonds | 20 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.18 |
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| NP-likeness | 1.33 |
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Classification
| NP Pathway | Fatty acids |
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| NP Superclass | Fatty acyls |
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| NP Class | Fatty alcohols |
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| Chemical Superclass | Lipids and lipid-like molecules |
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| Chemical Class | Fatty Acyls |
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| Chemical Subclass | Fatty alcohols |
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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.
