CNP0524181.1
CNP0524181.1 · C20H32O2 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0524181.1 |
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| InChIKey | YKXLOLXPAVQFLX-WPZRUTIUSA-N |
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| InChI | InChI=1S/2C10H16O/c2*1-9(2)5-4-6-10(3)7-8-11/h2*5,7-8H,4,6H2,1-3H3/b10-7+;10-7- |
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| SMILES | CC(C)=CCC/C(C)=C/C=O.CC(C)=CCC/C(C)=C\C=O |
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Properties
| Molecular Formula | C20H32O2 |
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| Molecular Weight | 304.47 |
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| Exact Mass | 304.24023 |
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| Log P (ALogP) | 5.76 |
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| TPSA | 34.14 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 8 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.32 |
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| NP-likeness | 1.32 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | |
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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.
