1-keto-alpha-Cyperone
CNP0155311.1 · C15H20O2 · View on COCONUT ↗
Identifiers
| Name | 1-keto-alpha-Cyperone |
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| IUPAC Name | (4~{a}~{R},7~{R})-4-hydroxy-7-isopropenyl-1,4~{a}-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one |
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| COCONUT ID | CNP0155311.1 |
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| InChIKey | UVPKPVSGUFZAQZ-IAQYHMDHSA-N |
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| InChI | InChI=1S/C15H20O2/c1-9(2)11-5-6-15(4)12(7-11)10(3)13(16)8-14(15)17/h8,11,17H,1,5-7H2,2-4H3/t11-,15-/m1/s1 |
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| SMILES | C=C(C)[C@@H]1CC[C@@]2(C)C(O)=CC(=O)C(C)=C2C1 |
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Properties
| Molecular Formula | C15H20O2 |
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| Molecular Weight | 232.32 |
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| Exact Mass | 232.14633 |
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| Log P (ALogP) | 3.71 |
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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 | 0.70 |
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| NP-likeness | 2.57 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Eudesmane sesquiterpenoids |
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| Chemical Superclass | Lipids and lipid-like molecules |
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| Chemical Class | Prenol lipids |
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| Chemical Subclass | Sesquiterpenoids |
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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.
