(1~{R},3~{R},4~{a}~{S},7~{R},8~{a}~{R})-7-isopropenyl-1,4~{a}-dimethyl-decalin-1,3-diol
CNP0251981.1 · C15H26O2 · View on COCONUT ↗
Identifiers
| IUPAC Name | (1~{R},3~{R},4~{a}~{S},7~{R},8~{a}~{R})-7-isopropenyl-1,4~{a}-dimethyl-decalin-1,3-diol |
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| COCONUT ID | CNP0251981.1 |
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| InChIKey | BIIOUOJJWZXURZ-ARILJUKYSA-N |
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| InChI | InChI=1S/C15H26O2/c1-10(2)11-5-6-14(3)8-12(16)9-15(4,17)13(14)7-11/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15-/m1/s1 |
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| SMILES | C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)C[C@@](C)(O)[C@@H]2C1 |
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Properties
| Molecular Formula | C15H26O2 |
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| Molecular Weight | 238.37 |
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| Exact Mass | 238.19328 |
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| Log P (ALogP) | 2.89 |
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| TPSA | 40.46 |
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| H-Bond Donors / Acceptors | 2 / 2 |
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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 | 0.69 |
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| NP-likeness | 2.97 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Eudesmane 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 | Sesquiterpenoids |
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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.
