CNP0525474.1
CNP0525474.1 · C15H22O2 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0525474.1 |
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| InChIKey | LWWQDOZCVXUIKE-ZPJSSPIDSA-N |
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| InChI | InChI=1S/C15H22O2/c1-12-5-4-6-13(11-16)14(17)8-10-15(2,3)9-7-12/h6-8,10,16H,4-5,9,11H2,1-3H3/b10-8+,12-7+,13-6+ |
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| SMILES | C/C1=C\CC(C)(C)/C=C/C(=O)/C(CO)=C/CC1 |
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Properties
| Molecular Formula | C15H22O2 |
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| Molecular Weight | 234.34 |
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| Exact Mass | 234.16198 |
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| Log P (ALogP) | 3.19 |
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| TPSA | 37.30 |
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| H-Bond Donors / Acceptors | 1 / 2 |
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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 | 0.71 |
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| NP-likeness | 3.09 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Humulane 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.
