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COCONUT Compound
JATAMANIN F
CNP0343358.2 · C10H16O4 · View on COCONUT ↗
2D Structure
Identifiers
| Name | JATAMANIN F |
|---|---|
| IUPAC Name | (4~{R},4~{a}~{R},6~{S},7~{S},7~{a}~{S})-6,7-dihydroxy-4,7-dimethyl-3,4,4~{a},5,6,7~{a}-hexahydrocyclopenta[c]pyran-1-one |
| COCONUT ID | CNP0343358.2 |
| InChIKey | PEZCHMXCLXLNIE-RZWYQDGFSA-N |
| InChI | InChI=1S/C10H16O4/c1-5-4-14-9(12)8-6(5)3-7(11)10(8,2)13/h5-8,11,13H,3-4H2,1-2H3/t5-,6+,7-,8+,10+/m0/s1 |
| SMILES | C[C@H]1COC(=O)[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O |
Properties
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.23 |
| Exact Mass | 200.10486 |
| Log P (ALogP) | -0.07 |
| TPSA | 66.76 |
| H-Bond Donors / Acceptors | 2 / 4 |
| Rotatable Bonds | 0 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.54 |
| NP-likeness | 3.39 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Monoterpenoids |
| NP Class | Iridoids monoterpenoids |
| Chemical Superclass | Lipids and lipid-like molecules |
| Chemical Class | Prenol lipids |
| Chemical Subclass | Terpene lactones |
Reported in GR-MAPs Plants
| Valeriana jatamansi | as “Valeriana jatamansi” in COCONUT |
|---|
References (1)
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.