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CHEBI:68193 - echinulin
| Formula | C29H39N3O2 |
| Net Charge | 0 |
| Average Mass | 461.650 |
| Monoisotopic Mass | 461.30423 |
| SMILES | C=CC(C)(C)c1nc2c(CC=C(C)C)cc(CC=C(C)C)cc2c1C[C@@H]1NC(=O)[C@H](C)NC1=O |
| InChI | InChI=1S/C29H39N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h9-11,14-15,19,24,32H,1,12-13,16H2,2-8H3,(H,30,34)(H,31,33)/t19-,24-/m0/s1 |
| InChIKey | DIKMWTRJIZQJMY-CYFREDJKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus amstelodami (ncbitaxon:5054) | - | PubMed (560465) | |
| Aspergillus chevalieri (ncbitaxon:182096) | - | PubMed (35203040) | |
| Aspergillus cristatus (ncbitaxon:573508) | - | PubMed (25372398) | Species also known as Eurotium cristatum. |
| Aspergillus fumigatus (ncbitaxon:746128) | - | PubMed (35323462) | Strain: MR2012 |
| Aspergillus niveoglaucus (ncbitaxon:41417) | - | PubMed (31878044) | |
| Chaetomium globosum (ncbitaxon:38033) | - | PubMed (12357398) | Strain: KMITL-N0802 |
| Combretum dolichopetalum (IPNI:170043-1) | Root (BTO:0001188) | PubMed (27298614) | |
| Eurotium repens (ncbitaxon:41409) | - | PubMed (21667972) | EtOAc extract of Lyophilized fungus which was homogenized with acetone |
| Portulaca oleracea (ncbitaxon:46147) | whole plant (BTO:0001461) | PubMed (31075485) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| echinulin (CHEBI:68193) has role Aspergillus metabolite (CHEBI:76956) |
| echinulin (CHEBI:68193) has role marine metabolite (CHEBI:76507) |
| echinulin (CHEBI:68193) has role plant metabolite (CHEBI:76924) |
| echinulin (CHEBI:68193) is a 2,5-diketopiperazines (CHEBI:65061) |
| echinulin (CHEBI:68193) is a indole alkaloid (CHEBI:38958) |
| echinulin (CHEBI:68193) is a indoles (CHEBI:24828) |
| echinulin (CHEBI:68193) is a olefinic compound (CHEBI:78840) |
| IUPAC Name |
|---|
| (3S,6S)-3-methyl-6-{[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}piperazine-2,5-dione |
| Synonyms | Source |
|---|---|
| (3S,6S)-3-[[2-(1,1-dimethyl-2-propen-1-yl)-5,7-bis(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl]-6-methyl-2,5-piperazinedione | ChEBI |
| echinuline | ChemIDplus |
| UniProt Name | Source |
|---|---|
| echinulin | UniProt |
| Citations |
|---|