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CHEBI:142517 - tschimganine
| Formula | C18H24O4 |
| Net Charge | 0 |
| Average Mass | 304.386 |
| Monoisotopic Mass | 304.16746 |
| SMILES | [H][C@]12CC[C@](C)([C@H](OC(=O)c3ccc(O)c(OC)c3)C1)C2(C)C |
| InChI | InChI=1S/C18H24O4/c1-17(2)12-7-8-18(17,3)15(10-12)22-16(20)11-5-6-13(19)14(9-11)21-4/h5-6,9,12,15,19H,7-8,10H2,1-4H3/t12-,15+,18+/m0/s1 |
| InChIKey | KTOAGBIQQPGNIR-WBHUJUFNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ferula dissecta (ncbitaxon:371337) | root (BTO:0001188) | Article (Wang, Z.Q., Huang, C., Huang, J., Han, H.Y., Li, G.Y., Wang, J.H. and Sun, T.M. (2014) The stereochemistry of two monoterpenoid diastereomers from Ferula dissecta. RSC Adv., 4, 14373-14377.) | |
| Apis mellifera (ncbitaxon:7460) | - | PubMed (20350297) | Isolated from propolis (bee glue). |
| Roles Classification |
|---|
| Biological Roles: | antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tschimganine (CHEBI:142517) has functional parent (−)-borneol (CHEBI:15394) |
| tschimganine (CHEBI:142517) has functional parent vanillic acid (CHEBI:30816) |
| tschimganine (CHEBI:142517) has role animal metabolite (CHEBI:75767) |
| tschimganine (CHEBI:142517) has role antimicrobial agent (CHEBI:33281) |
| tschimganine (CHEBI:142517) has role antineoplastic agent (CHEBI:35610) |
| tschimganine (CHEBI:142517) has role geroprotector (CHEBI:176497) |
| tschimganine (CHEBI:142517) has role plant metabolite (CHEBI:76924) |
| tschimganine (CHEBI:142517) is a benzoate ester (CHEBI:36054) |
| tschimganine (CHEBI:142517) is a carbobicyclic compound (CHEBI:36785) |
| tschimganine (CHEBI:142517) is a monomethoxybenzene (CHEBI:25235) |
| tschimganine (CHEBI:142517) is a monoterpenoid (CHEBI:25409) |
| tschimganine (CHEBI:142517) is a phenols (CHEBI:33853) |
| IUPAC Name |
|---|
| (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate |
| Synonyms | Source |
|---|---|
| tschimganin | ChEBI |
| tschimganine | ChEBI |
| chimganin | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:26876325 | Reaxys |
| Citations |
|---|