CNP0490174.1
CNP0490174.1 · C15H24O · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0490174.1 |
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| InChIKey | KTGXDHVCKICOMQ-ZRDIBKRKSA-N |
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| InChI | InChI=1S/C15H24O/c1-6-14(16)12(3)10-13-11(2)8-7-9-15(13,4)5/h10H,6-9H2,1-5H3/b12-10+ |
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| SMILES | CCC(=O)/C(C)=C/C1=C(C)CCCC1(C)C |
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Properties
| Molecular Formula | C15H24O |
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| Molecular Weight | 220.36 |
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| Exact Mass | 220.18272 |
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| Log P (ALogP) | 4.44 |
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| TPSA | 17.07 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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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 | 0.64 |
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| NP-likeness | 1.43 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Apocarotenoids |
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| NP Class | Apocarotenoids (β-) |
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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.
