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CHEBI:10365 - (5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one
| Formula | C20H22N2O3 |
| Net Charge | 0 |
| Average Mass | 338.407 |
| Monoisotopic Mass | 338.16304 |
| SMILES | [H][C@@]1(Cc2cnc3cccc(CC=C(C)C)c23)NC(=O)C(C(C)=O)=C1O |
| InChI | InChI=1S/C20H22N2O3/c1-11(2)7-8-13-5-4-6-15-18(13)14(10-21-15)9-16-19(24)17(12(3)23)20(25)22-16/h4-7,10,16,21,24H,8-9H2,1-3H3,(H,22,25)/t16-/m0/s1 |
| InChIKey | MVUXMIXDFMUPLL-INIZCTEOSA-N |
| Roles Classification |
|---|
| Biological Role: | mycotoxin Poisonous substance produced by fungi. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one (CHEBI:10365) is a β-cyclopiazonic acid (CHEBI:22838) |
| (5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one (CHEBI:10365) is tautomer of (3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione (CHEBI:17233) |
| Incoming Relation(s) |
| (3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione (CHEBI:17233) is tautomer of (5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one (CHEBI:10365) |
| IUPAC Name |
|---|
| (5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one |
| Synonyms | Source |
|---|---|
| beta-Cyclopiazonate | KEGG COMPOUND |
| (S)-3-acetyl-1,5-dihydro-4-hydroxy-5-((4-(3-methyl-2-butenyl)-1H-indol-3-yl)methyl)-2H-pyrrol-2-one | ChemIDplus |
| dehydrodisecocyclopiazonic acid | ChemIDplus |
| beta-Cyclopiazonic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C02899 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| CAS:31008-70-5 | ChemIDplus |