CNP0132031.1
CNP0132031.1 · C15H28O3 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0132031.1 |
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| InChIKey | RJFZKASCQJPZRY-KHMAMNHCSA-N |
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| InChI | InChI=1S/C15H28O3/c1-10(2)11-5-6-14(4,17)15(18)8-7-13(3,16)9-12(11)15/h10-12,16-18H,5-9H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1 |
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| SMILES | CC(C)[C@H]1CC[C@@](C)(O)[C@]2(O)CC[C@@](C)(O)C[C@@H]12 |
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Properties
| Molecular Formula | C15H28O3 |
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| Molecular Weight | 256.39 |
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| Exact Mass | 256.20384 |
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| Log P (ALogP) | 2.09 |
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| TPSA | 60.69 |
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| H-Bond Donors / Acceptors | 3 / 3 |
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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 | 0.67 |
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| NP-likeness | 2.12 |
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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.
