AKOS001422263
CNP0213397.0 · C17H21NO2 · View on COCONUT ↗
Identifiers
| Name | AKOS001422263 |
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| IUPAC Name | cyclohexyl 3-(1~{H}-indol-3-yl)propanoate |
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| COCONUT ID | CNP0213397.0 |
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| InChIKey | WRQDMKSMJOELTQ-UHFFFAOYSA-N |
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| InChI | InChI=1S/C17H21NO2/c19-17(20-14-6-2-1-3-7-14)11-10-13-12-18-16-9-5-4-8-15(13)16/h4-5,8-9,12,14,18H,1-3,6-7,10-11H2 |
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| SMILES | O=C(CCC1=CNC2=CC=CC=C12)OC1CCCCC1 |
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Properties
| Molecular Formula | C17H21NO2 |
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| Molecular Weight | 271.36 |
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| Exact Mass | 271.15723 |
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| Log P (ALogP) | 3.98 |
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| TPSA | 42.09 |
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| H-Bond Donors / Acceptors | 1 / 2 |
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| Rotatable Bonds | 4 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.85 |
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| NP-likeness | 0.16 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Indoles and derivatives |
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| Chemical Subclass | Indoles |
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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.
