CNP0423415.6
CNP0423415.6 · C19H24O5 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0423415.6 |
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| InChIKey | YWCXXASGSVDIPE-GLKCHUTISA-N |
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| InChI | InChI=1S/C19H24O5/c1-11(2)18(21)23-16-9-14(10-20)7-5-6-12(3)8-15-17(16)13(4)19(22)24-15/h7-8,10-11,15-17H,4-6,9H2,1-3H3/b12-8-,14-7+ |
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| SMILES | C=C1C(=O)OC2/C=C(/C)CC/C=C(/C=O)CC(OC(=O)C(C)C)C12 |
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Properties
| Molecular Formula | C19H24O5 |
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| Molecular Weight | 332.40 |
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| Exact Mass | 332.16237 |
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| Log P (ALogP) | 2.91 |
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| TPSA | 69.67 |
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| H-Bond Donors / Acceptors | 0 / 5 |
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| Rotatable Bonds | 3 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.34 |
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| NP-likeness | 3.01 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Germacrane sesquiterpenoids |
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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.
