Curzerene
CNP0241147.3 · C15H20O · View on COCONUT ↗
Identifiers
| Name | Curzerene |
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| IUPAC Name | (5~{S},6~{S})-5-isopropenyl-3,6-dimethyl-6-vinyl-5,7-dihydro-4~{H}-benzofuran |
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| COCONUT ID | CNP0241147.3 |
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| CAS | 17910-09-7, 120520-43-6 |
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| InChIKey | HICAMHOOTMOHPA-DZGCQCFKSA-N |
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| InChI | InChI=1S/C15H20O/c1-6-15(5)8-14-12(11(4)9-16-14)7-13(15)10(2)3/h6,9,13H,1-2,7-8H2,3-5H3/t13-,15+/m0/s1 |
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| SMILES | C=C[C@]1(C)CC2=C(C[C@H]1C(=C)C)C(C)=CO2 |
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Properties
| Molecular Formula | C15H20O |
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| Molecular Weight | 216.32 |
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| Exact Mass | 216.15142 |
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| Log P (ALogP) | 4.07 |
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| TPSA | 13.14 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.68 |
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| NP-likeness | 2.92 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Elemane 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 | Monoterpenoids |
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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.
