JATAMANIN J
CNP0226683.1 · C10H18O4 · View on COCONUT ↗
Identifiers
| Name | JATAMANIN J |
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| IUPAC Name | (1~{S},2~{S},4~{S},5~{R})-5-(hydroxymethyl)-4-[1-(hydroxymethyl)vinyl]-1-methyl-cyclopentane-1,2-diol |
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| COCONUT ID | CNP0226683.1 |
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| InChIKey | ZHKYTTFZXBSTEE-KATARQTJSA-N |
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| InChI | InChI=1S/C10H18O4/c1-6(4-11)7-3-9(13)10(2,14)8(7)5-12/h7-9,11-14H,1,3-5H2,2H3/t7-,8+,9+,10+/m1/s1 |
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| SMILES | C=C(CO)[C@H]1C[C@H](O)[C@@](C)(O)[C@H]1CO |
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Properties
| Molecular Formula | C10H18O4 |
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| Molecular Weight | 202.25 |
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| Exact Mass | 202.12051 |
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| Log P (ALogP) | -0.72 |
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| TPSA | 80.92 |
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| H-Bond Donors / Acceptors | 4 / 4 |
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| Rotatable Bonds | 3 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.46 |
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| NP-likeness | 3.36 |
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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.
