14-Hydroxy-9-epi-(E)-caryophyllene
CNP0076225.1 · C15H24O · View on COCONUT ↗
Identifiers
| Name | 14-Hydroxy-9-epi-(E)-caryophyllene |
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| IUPAC Name | [(5Z)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]methanol |
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| COCONUT ID | CNP0076225.1 |
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| CAS | 244226-09-3 |
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| InChIKey | DFMBJBXEHZSTJQ-WZUFQYTHSA-N |
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| InChI | InChI=1S/C15H24O/c1-11-5-4-6-12(2)13-9-15(3,10-16)14(13)8-7-11/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5- |
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| SMILES | C=C1CC/C=C(/C)CCC2C1CC2(C)CO |
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Properties
| Molecular Formula | C15H24O |
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| Molecular Weight | 220.36 |
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| Exact Mass | 220.18272 |
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| Log P (ALogP) | 3.70 |
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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 | 0.67 |
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| NP-likeness | 3.55 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Caryophyllane 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.
