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COCONUT Compound
Glutinosone
CNP0168960.1 · C14H20O2 · View on COCONUT ↗
2D Structure
Identifiers
| Name | Glutinosone |
|---|---|
| IUPAC Name | (3~{R},4~{S},4~{a}~{S},6~{R})-3-hydroxy-6-isopropenyl-4-methyl-4,4~{a},5,6,7,8-hexahydro-3~{H}-naphthalen-2-one |
| COCONUT ID | CNP0168960.1 |
| CAS | 55051-94-0 |
| InChIKey | AUWWCTMETLOZSD-HEQLZXTPSA-N |
| InChI | InChI=1S/C14H20O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h7,9-10,12,14,16H,1,4-6H2,2-3H3/t9-,10+,12-,14+/m0/s1 |
| SMILES | C=C(C)[C@@H]1CCC2=CC(=O)[C@H](O)[C@@H](C)[C@@H]2C1 |
Properties
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.31 |
| Exact Mass | 220.14633 |
| Log P (ALogP) | 2.48 |
| TPSA | 37.30 |
| H-Bond Donors / Acceptors | 1 / 2 |
| Rotatable Bonds | 1 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.69 |
| NP-likeness | 2.82 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Sesquiterpenoids |
| NP Class | Noreudesmane sesquiterpenoids |
| Chemical Superclass | Organic oxygen compounds |
| Chemical Class | Organooxygen compounds |
| Chemical Subclass | Carbonyl compounds |
Reported in GR-MAPs Plants
| Nicotiana tabacum | as “Nicotiana Tabacum; Nicotiana tabacum L.” in COCONUT |
|---|
References (2)
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.