JATAMANIN M
CNP0333672.1 · C12H14O6 · View on COCONUT ↗
Identifiers
| Name | JATAMANIN M |
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| IUPAC Name | [(1~{S},4~{S})-3-formyl-4-(1-formylvinyl)-4-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-yl] acetate |
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| COCONUT ID | CNP0333672.1 |
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| InChIKey | GJOKUHOJKKOIEW-RYUDHWBXSA-N |
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| InChI | InChI=1S/C12H14O6/c1-7(4-13)12(17)3-11(18-8(2)16)9(5-14)10(12)6-15/h4,6,11,14,17H,1,3,5H2,2H3/t11-,12-/m0/s1 |
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| SMILES | C=C(C=O)[C@@]1(O)C[C@H](OC(C)=O)C(CO)=C1C=O |
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Properties
| Molecular Formula | C12H14O6 |
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| Molecular Weight | 254.24 |
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| Exact Mass | 254.07904 |
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| Log P (ALogP) | -0.70 |
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| TPSA | 100.90 |
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| H-Bond Donors / Acceptors | 2 / 6 |
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| Rotatable Bonds | 5 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.38 |
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| NP-likeness | 3.04 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Monoterpenoids |
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| NP Class | Iridoids monoterpenoids |
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| Chemical Superclass | Lipids and lipid-like molecules |
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| Chemical Class | Prenol lipids |
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| Chemical Subclass | Monoterpenoids |
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Reported in GR-MAPs Plants
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.
