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COCONUT Compound
JATAMANIN A
CNP0310001.1 · C10H14O4 · View on COCONUT ↗
2D Structure
Identifiers
| Name | JATAMANIN A |
|---|---|
| IUPAC Name | (4~{a}~{S},6~{S},7~{S},7~{a}~{S})-6,7-dihydroxy-7-methyl-4-methylene-4~{a},5,6,7~{a}-tetrahydrocyclopenta[c]pyran-1-one |
| COCONUT ID | CNP0310001.1 |
| InChIKey | LDGOKVOMVZXPJV-IBCQBUCCSA-N |
| InChI | InChI=1S/C10H14O4/c1-5-4-14-9(12)8-6(5)3-7(11)10(8,2)13/h6-8,11,13H,1,3-4H2,2H3/t6-,7+,8-,10-/m1/s1 |
| SMILES | C=C1COC(=O)[C@H]2[C@@H]1C[C@H](O)[C@@]2(C)O |
Properties
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.22 |
| Exact Mass | 198.08921 |
| Log P (ALogP) | -0.15 |
| TPSA | 66.76 |
| H-Bond Donors / Acceptors | 2 / 4 |
| Rotatable Bonds | 0 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.42 |
| NP-likeness | 3.44 |
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 (3)
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.