CNP0262793.1
CNP0262793.1 · C16H26O · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0262793.1 |
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| InChIKey | UWSUGXFVYBVFDX-YHYXMXQVSA-N |
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| InChI | InChI=1S/C16H26O/c1-10(9-17)5-4-6-11(2)15-12-7-13-14(8-12)16(13,15)3/h5,11-15,17H,4,6-9H2,1-3H3/b10-5- |
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| SMILES | C/C(=C/CCC(C)C1C2CC3C(C2)C31C)CO |
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Properties
| Molecular Formula | C16H26O |
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| Molecular Weight | 234.38 |
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| Exact Mass | 234.19837 |
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| Log P (ALogP) | 3.63 |
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| TPSA | 20.23 |
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| H-Bond Donors / Acceptors | 1 / 1 |
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| Rotatable Bonds | 5 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.72 |
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| NP-likeness | 2.98 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Santalane 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.
