(7~{R})-7-isopropyl-10-methyl-2-oxatricyclo[6.3.1.0^{4,12}]dodeca-1(11),3,8(12),9-tetraene
CNP0327315.1 · C15H18O · View on COCONUT ↗
Identifiers
| IUPAC Name | (7~{R})-7-isopropyl-10-methyl-2-oxatricyclo[6.3.1.0^{4,12}]dodeca-1(11),3,8(12),9-tetraene |
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| COCONUT ID | CNP0327315.1 |
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| InChIKey | ZUFDCHGWVZKBOX-GFCCVEGCSA-N |
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| InChI | InChI=1S/C15H18O/c1-9(2)12-5-4-11-8-16-14-7-10(3)6-13(12)15(11)14/h6-9,12H,4-5H2,1-3H3/t12-/m1/s1 |
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| SMILES | CC1=CC2=C3C(=COC3=C1)CC[C@@H]2C(C)C |
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Properties
| Molecular Formula | C15H18O |
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| Molecular Weight | 214.31 |
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| Exact Mass | 214.13577 |
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| Log P (ALogP) | 4.43 |
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| TPSA | 13.14 |
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| H-Bond Donors / Acceptors | 0 / 1 |
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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 | 0.68 |
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| NP-likeness | 1.19 |
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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 | Organoheterocyclic compounds |
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| Chemical Class | Benzofurans |
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| Chemical Subclass | Benzofurans |
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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.
