8a-hydroxy-5-methyl-8-propan-2-yl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
CNP0611605.0 · C14H24O2 · View on COCONUT ↗
Identifiers
| IUPAC Name | 8a-hydroxy-5-methyl-8-propan-2-yl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one |
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| COCONUT ID | CNP0611605.0 |
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| InChIKey | AAWKDIIRDMEPKN-UHFFFAOYSA-N |
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| InChI | InChI=1S/C14H24O2/c1-9(2)12-6-4-10(3)13-7-5-11(15)8-14(12,13)16/h9-10,12-13,16H,4-8H2,1-3H3 |
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| SMILES | CC(C)C1CCC(C)C2CCC(=O)CC12O |
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Properties
| Molecular Formula | C14H24O2 |
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| Molecular Weight | 224.34 |
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| Exact Mass | 224.17763 |
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| Log P (ALogP) | 2.79 |
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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 | 0.74 |
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| NP-likeness | 2.42 |
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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.
