CNP0609162.0
CNP0609162.0 · C14H20O · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0609162.0 |
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| InChIKey | WZXPZYHJWASHJM-UHFFFAOYSA-N |
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| InChI | InChI=1S/C14H20O/c1-9(2)12-6-4-10(3)13-7-5-11(15)8-14(12)13/h8-9,12H,4-7H2,1-3H3 |
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| SMILES | CC1=C2CCC(=O)C=C2C(C(C)C)CC1 |
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Properties
| Molecular Formula | C14H20O |
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| Molecular Weight | 204.31 |
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| Exact Mass | 204.15142 |
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| Log P (ALogP) | 3.66 |
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| TPSA | 17.07 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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| Rotatable Bonds | 1 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.64 |
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| NP-likeness | 1.73 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Cadinane 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.
