53093-96-2
CNP0359289.1 · C13H20O2 · View on COCONUT ↗
Identifiers
| Name | 53093-96-2 |
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| IUPAC Name | 2-[(2~{R},5~{S})-5-isopropyl-2-methyl-tetrahydrofuran-2-yl]-5-methyl-furan |
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| COCONUT ID | CNP0359289.1 |
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| InChIKey | OTCYDBRXABTHJM-WCQYABFASA-N |
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| InChI | InChI=1S/C13H20O2/c1-9(2)11-7-8-13(4,15-11)12-6-5-10(3)14-12/h5-6,9,11H,7-8H2,1-4H3/t11-,13+/m0/s1 |
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| SMILES | CC1=CC=C([C@@]2(C)CC[C@@H](C(C)C)O2)O1 |
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Properties
| Molecular Formula | C13H20O2 |
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| Molecular Weight | 208.30 |
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| Exact Mass | 208.14633 |
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| Log P (ALogP) | 3.64 |
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| TPSA | 22.37 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.74 |
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| NP-likeness | 1.02 |
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Classification
| NP Pathway | Polyketides |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Furans |
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| Chemical Subclass | Furans |
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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.
