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COCONUT Compound
18-Norabieta-8,11,13-triene-4,15-diol
CNP0278623.1 · C19H28O2 · View on COCONUT ↗
2D Structure
Identifiers
| Name | 18-Norabieta-8,11,13-triene-4,15-diol |
|---|---|
| IUPAC Name | (1~{R},4~{a}~{S},10~{a}~{R})-7-(1-hydroxy-1-methyl-ethyl)-1,4~{a}-dimethyl-2,3,4,9,10,10~{a}-hexahydrophenanthren-1-ol |
| COCONUT ID | CNP0278623.1 |
| CAS | 203455-81-6 |
| InChIKey | NYEXXEJYGVAGEE-BHIYHBOVSA-N |
| InChI | InChI=1S/C19H28O2/c1-17(2,20)14-7-8-15-13(12-14)6-9-16-18(15,3)10-5-11-19(16,4)21/h7-8,12,16,20-21H,5-6,9-11H2,1-4H3/t16-,18-,19-/m1/s1 |
| SMILES | CC(C)(O)C1=CC=C2C(=C1)CC[C@H]1[C@](C)(O)CCC[C@]21C |
Properties
| Molecular Formula | C19H28O2 |
|---|---|
| Molecular Weight | 288.43 |
| Exact Mass | 288.20893 |
| Log P (ALogP) | 3.67 |
| TPSA | 40.46 |
| H-Bond Donors / Acceptors | 2 / 2 |
| Rotatable Bonds | 1 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.83 |
| NP-likeness | 2.14 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Diterpenoids |
| NP Class | Abietane diterpenoids |
| Chemical Superclass | Lipids and lipid-like molecules |
| Chemical Class | Prenol lipids |
| Chemical Subclass | Diterpenoids |
Reported in GR-MAPs Plants
| Asparagus racemosus | as “Asparagus racemosus” 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.