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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. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . 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 |
|---|