52154-82-2
CNP0222158.2 · C10H16O · View on COCONUT ↗
Identifiers
| Name | 52154-82-2 |
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| IUPAC Name | (1~{R},4~{R})-4-isopropenyl-1-methyl-cyclohex-2-en-1-ol |
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| COCONUT ID | CNP0222158.2 |
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| CAS | 52154-82-2 |
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| InChIKey | MKPMHJQMNACGDI-UWVGGRQHSA-N |
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| InChI | InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m0/s1 |
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| SMILES | C=C(C)[C@H]1C=C[C@](C)(O)CC1 |
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Properties
| Molecular Formula | C10H16O |
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| Molecular Weight | 152.24 |
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| Exact Mass | 152.12012 |
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| Log P (ALogP) | 2.28 |
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| TPSA | 20.23 |
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| H-Bond Donors / Acceptors | 1 / 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 | 0.57 |
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| NP-likeness | 3.57 |
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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.
