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COCONUT Compound
(E)-Muurola-4-(14),5-diene
CNP0144185.1 · C15H24 · View on COCONUT ↗
2D Structure
Identifiers
| Name | (E)-Muurola-4-(14),5-diene |
|---|---|
| IUPAC Name | (1~{S},4~{S})-1-isopropyl-4-methyl-7-methylene-2,3,4,4~{a},5,6-hexahydro-1~{H}-naphthalene |
| COCONUT ID | CNP0144185.1 |
| InChIKey | RNDFUOKDULDZPR-RFHHWMCGSA-N |
| InChI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3/t12-,13-,14?/m0/s1 |
| SMILES | C=C1C=C2C(CC1)[C@@H](C)CC[C@H]2C(C)C |
Properties
| Molecular Formula | C15H24 |
|---|---|
| Molecular Weight | 204.36 |
| Exact Mass | 204.18780 |
| Log P (ALogP) | 4.58 |
| TPSA | 0.00 |
| H-Bond Donors / Acceptors | 0 / 0 |
| Rotatable Bonds | 1 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.59 |
| NP-likeness | 2.84 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Sesquiterpenoids |
| NP Class | Cadinane sesquiterpenoids |
| Chemical Superclass | Lipids and lipid-like molecules |
| Chemical Class | Prenol lipids |
| Chemical Subclass | Sesquiterpenoids |
Reported in GR-MAPs Plants
| Daucus carota | as “Daucus carota” in COCONUT |
|---|
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.