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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: | phytotoxin Any toxin produced by a plant. 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. 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 |
| delartine | ChEBI |
| MLA | ChEBI |
| Citations |
|---|