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CHEBI:43931 - methyllycaconitine
| Formula | C37H50N2O10 |
| Net Charge | 0 |
| Average Mass | 682.811 |
| Monoisotopic Mass | 682.34655 |
| SMILES | [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@]2([H])[C@@]4(COC(=O)c5ccccc5N5C(=O)C[C@H](C)C5=O)CC[C@H](OC)[C@@]32[C@]1([H])N(CC)C4 |
| InChI | InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1 |
| InChIKey | XLTANAWLDBYGFU-VTLKBQQISA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Delphinium brownii (IPNI:77302-2) | seed (BTO:0001226) | PubMed (3338564) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | nicotinic antagonist An antagonist at the nicotinic cholinergic receptor. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. phytotoxin Any toxin produced by a plant. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | nicotinic antagonist An antagonist at the nicotinic cholinergic receptor. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyllycaconitine (CHEBI:43931) has parent hydride aconitane (CHEBI:35911) |
| methyllycaconitine (CHEBI:43931) has role nicotinic antagonist (CHEBI:48878) |
| methyllycaconitine (CHEBI:43931) has role phytotoxin (CHEBI:38231) |
| methyllycaconitine (CHEBI:43931) has role plant metabolite (CHEBI:76924) |
| methyllycaconitine (CHEBI:43931) is a benzoate ester (CHEBI:36054) |
| methyllycaconitine (CHEBI:43931) is a dicarboximide (CHEBI:35356) |
| methyllycaconitine (CHEBI:43931) is a diterpene alkaloid (CHEBI:23847) |
| methyllycaconitine (CHEBI:43931) is a ether (CHEBI:25698) |
| methyllycaconitine (CHEBI:43931) is a organic heteropolycyclic compound (CHEBI:38166) |
| methyllycaconitine (CHEBI:43931) is a tertiary alcohol (CHEBI:26878) |
| methyllycaconitine (CHEBI:43931) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| (20-ethyl-7,8-dihydroxy-1α,6β,14α,16β-tetramethoxyaconitan-4-yl)methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate |
| Synonyms | Source |
|---|---|
| (1α,6β,14α,16β)-20-ethyl-1,6,14,16-tetramethoxy-4-[[[2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoyl]oxy]methyl]aconitane-7,8-diol | ChEBI |
| MLA | ChEBI |
| delartine | ChEBI |
| Citations |
|---|