Dihydrocarvyl acetate, (-)-
CNP0292237.3 · C12H20O2 · View on COCONUT ↗
Identifiers
| Name | Dihydrocarvyl acetate, (-)- |
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| IUPAC Name | [(1~{R},2~{R},5~{R})-5-isopropenyl-2-methyl-cyclohexyl] acetate |
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| COCONUT ID | CNP0292237.3 |
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| InChIKey | TUSIZTVSUSBSQI-YUSALJHKSA-N |
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| InChI | InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11-,12-/m1/s1 |
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| SMILES | C=C(C)[C@@H]1CC[C@@H](C)[C@H](OC(C)=O)C1 |
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Properties
| Molecular Formula | C12H20O2 |
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| Molecular Weight | 196.29 |
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| Exact Mass | 196.14633 |
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| Log P (ALogP) | 2.93 |
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| TPSA | 26.30 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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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 | 0.50 |
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| NP-likeness | 2.03 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Monoterpenoids |
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| NP Class | Menthane monoterpenoids |
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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.
