CNP0608163.0
CNP0608163.0 · C15H22O4 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0608163.0 |
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| InChIKey | GLHXMOIPPIIDBG-UHFFFAOYSA-N |
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| InChI | InChI=1S/C15H22O4/c1-9(2)15-12(17)7-10(3)14(15,6-5-11(4)16)8-13(18)19-15/h9-10H,5-8H2,1-4H3 |
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| SMILES | CC(=O)CCC12CC(=O)OC1(C(C)C)C(=O)CC2C |
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Properties
| Molecular Formula | C15H22O4 |
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| Molecular Weight | 266.34 |
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| Exact Mass | 266.15181 |
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| Log P (ALogP) | 2.29 |
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| TPSA | 60.44 |
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| H-Bond Donors / Acceptors | 0 / 4 |
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| Rotatable Bonds | 4 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.73 |
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| NP-likeness | 1.72 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Carabrane 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.
