Spirojatamol
CNP0259764.1 · C15H26O · View on COCONUT ↗
Identifiers
| Name | Spirojatamol |
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| IUPAC Name | (4~{S},5~{S},7~{R})-7-isopropyl-4-methyl-10-methylene-spiro[4.5]decan-4-ol |
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| COCONUT ID | CNP0259764.1 |
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| InChIKey | AEUBOEQPIBOTGP-ILXRZTDVSA-N |
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| InChI | InChI=1S/C15H26O/c1-11(2)13-7-6-12(3)15(10-13)9-5-8-14(15,4)16/h11,13,16H,3,5-10H2,1-2,4H3/t13-,14+,15+/m1/s1 |
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| SMILES | C=C1CC[C@@H](C(C)C)C[C@@]12CCC[C@]2(C)O |
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Properties
| Molecular Formula | C15H26O |
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| Molecular Weight | 222.37 |
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| Exact Mass | 222.19837 |
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| Log P (ALogP) | 3.92 |
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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 | 2.57 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Guaiane sesquiterpenoids |
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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.
