(1~{R},4~{R},5~{R})-4-isopropenyl-1,8-dimethyl-spiro[4.5]dec-8-ene
CNP0222112.6 · C15H24 · View on COCONUT ↗
Identifiers
| IUPAC Name | (1~{R},4~{R},5~{R})-4-isopropenyl-1,8-dimethyl-spiro[4.5]dec-8-ene |
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| COCONUT ID | CNP0222112.6 |
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| InChIKey | DVBSKQAFCDJNSL-KFWWJZLASA-N |
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| InChI | InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14-,15+/m1/s1 |
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| SMILES | C=C(C)[C@H]1CC[C@@H](C)[C@@]12CC=C(C)CC2 |
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Properties
| Molecular Formula | C15H24 |
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| Molecular Weight | 204.36 |
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| Exact Mass | 204.18780 |
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| Log P (ALogP) | 4.73 |
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| TPSA | 0.00 |
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| H-Bond Donors / Acceptors | 0 / 0 |
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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 | 0.54 |
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| NP-likeness | 3.35 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Acorane sesquiterpenoids |
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| Chemical Superclass | Hydrocarbons |
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| Chemical Class | Unsaturated hydrocarbons |
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| Chemical Subclass | Branched unsaturated hydrocarbons |
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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.
