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CHEBI:70508 - (16R,19E)-isositsirikine
| Formula | C21H26N2O3 |
| Net Charge | 0 |
| Average Mass | 354.450 |
| Monoisotopic Mass | 354.19434 |
| SMILES | [H][C@]1([C@H](CO)C(=O)OC)C[C@@]2([H])c3nc4ccccc4c3CCN2C/C1=C/C |
| InChI | InChI=1S/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,16-17,19,22,24H,8-12H2,1-2H3/b13-3-/t16-,17-,19-/m0/s1 |
| InChIKey | RGXKJLTVROJBKZ-LZNZQLKFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Alstonia spatulata (IPNI:76595-1) | leaf (BTO:0000713) | PubMed (21043460) | Extraction of leaves with concentrated EtOH with dilute acids |
| Rhazya stricta (ncbitaxon:396313) | |||
| leaf (BTO:0000713) | DOI (10.1016/j.sajb.2020.10.020) | ||
| aerial part (BTO:0001658) | PubMed (33477682) | ||
| Catharanthus roseus (ncbitaxon:4058) | cell suspension culture (BTO:0000221) | PubMed (17340304) | |
| Kopsia griffithii (ncbitaxon:1750996) | Leaf (PO:0025034) | DOI (10.1016/s0031-9422(97)00513-x) | |
| Kopsia pauciflora (ncbitaxon:1037435) | Leaf (PO:0025034) | DOI (10.1016/j.phytochem.2014.09.014) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (16R,19E)-isositsirikine (CHEBI:70508) has role antifungal agent (CHEBI:35718) |
| (16R,19E)-isositsirikine (CHEBI:70508) has role plant metabolite (CHEBI:76924) |
| (16R,19E)-isositsirikine (CHEBI:70508) is a indole alkaloid (CHEBI:38958) |
| (16R,19E)-isositsirikine (CHEBI:70508) is a methyl ester (CHEBI:25248) |
| (16R,19E)-isositsirikine (CHEBI:70508) is a organic heterotetracyclic compound (CHEBI:38163) |
| (16R,19E)-isositsirikine (CHEBI:70508) is a primary alcohol (CHEBI:15734) |
| IUPAC Name |
|---|
| methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate |
| Synonyms | Source |
|---|---|
| 16R,19E-isositsirikine | ChEBI |
| (16R)-E-isositsirikine | ChEBI |
| 16(R)-19,20-E-isositsirikine | ChEBI |
| 16(R)-E-isositsirikine | ChEBI |
| 16R-19,20-E-isositsirikine | ChEBI |
| UniProt Name | Source |
|---|---|
| (16R,19E)-isositsirikine | UniProt |
| Citations |
|---|