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CHEBI:17734 - α-cyclopiazonic acid

ChEBI IDCHEBI:17734
ChEBI Nameα-cyclopiazonic acid
Stars
ASCII Namealpha-cyclopiazonic acid
Secondary ChEBI IDsCHEBI:10227, CHEBI:22449
Last Modified23 December 2018
DownloadsMolfile
FormulaC20H20N2O3
Net Charge0
Average Mass336.391
Monoisotopic Mass336.14739
SMILES[H][C@]12c3cnc4cccc(c34)C[C@@]1([H])C(C)(C)N1C(=O)/C(=C(/C)O)C(=O)[C@@]12[H]
InChIInChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,23H,7H2,1-3H3/b14-9-/t12-,16+,17+/m1/s1
InChIKeyCNZIQHGDUXRUJS-PTNHGACKSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
α-cyclopiazonic acid (CHEBI:17734) is a α-cyclopiazonic acids (CHEBI:12336)
α-cyclopiazonic acid (CHEBI:17734) is conjugate acid of α-cyclopiazonate (CHEBI:58256)
α-cyclopiazonic acid (CHEBI:17734) is tautomer of (6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one (CHEBI:22450)
Incoming Relation(s)
α-cyclopiazonate (CHEBI:58256) is conjugate base of α-cyclopiazonic acid (CHEBI:17734)
(6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one (CHEBI:22450) is tautomer of α-cyclopiazonic acid (CHEBI:17734)
IUPAC Name 
(6aR,10Z,11aS,11bR)-10-(1-hydroxyethylidene)-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione
Synonyms  Source
alpha-CyclopiazonateKEGG COMPOUND
alpha-Cyclopiazonic acidKEGG COMPOUND
Manual XrefsDatabases
C03032KEGG COMPOUND
Registry NumbersSources
Beilstein:6874884Beilstein
CAS:83136-88-3ChemIDplus