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Alpha-cyclopiazonic acid

  • Formula: C20H20N2O3

  • Molecular weight: 336.40

  • Smiles: CC(=C1C(=O)C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O

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Alpha-cyclopiazonic acid

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Alpha-cyclopiazonic acid

  • First synonym: .alpha.-cyclopiazonic acid

  • Synonyms: .alpha.-Cyclopiazonic acid,NSC117181,9H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-, (6a.alpha.,11a.beta.,11b.alpha.)-,Cyclopiazonic Acid, Penicillium cyclopium,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,9H-Pyrrolo(1',2':2,3)isoindolo(4,5,6-cd)indol-9-one, 10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-, (6a.alpha.,11a,11b.alpha.)-,9H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11B-hexahydro-11-hydroxy-7,7-dimethyl-, (6a.alpha.,11a,11b.alpha.)-,Spectrum_001538,Spectrum2_000796,Spectrum3_001877,Spectrum4_000119,Spectrum5_001657,CBiol_001746,BSPBio_003354,KBioGR_000023,KBioGR_000478,KBioSS_000023,KBioSS_002018,DivK1c_000037,SPECTRUM1503912,SPBio_000932,acetyl-hydroxy-dimethyl-[?]one,CHEMBL1325652,SCHEMBL17973530,BCBcMAP01_000213,HMS500B19,KBio1_000037,KBio2_000023,KBio2_002018,KBio2_002591,KBio2_004586,KBio2_005159,KBio2_007154,KBio3_000045,KBio3_000046,KBio3_002856,NINDS_000037,Bio1_000032,Bio1_000521,Bio1_001010,Bio2_000023,Bio2_000503,HMS1361B05,CCG-38989,NSC-117181,IDI1_000037,IDI1_033773,SMP1_000094,NCGC00095909-01,NCGC00095909-02,NCI60_000397,FT-0624278,ST50405208,10-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 #,1212211-11-4,9H-Pyrrolo(1',2':2,3)isoindolo(4,5,6-cd)indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, (6a-.alpha.,11a,11b-.alpha.)-,9H-Pyrrolo[1',3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11B-hexahydro-11-hydroxy-7,7-dimethyl-, (6a.alpha.,11a,11b.alpha.)-,9H-Pyrrolo[1',3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-, (6a.alpha.,11a.beta.,11b.alpha.)-

Identifiers / External links

Structure

  • Smiles: CC(=C1C(=O)C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O

  • Isomeric smiles: C/C(=C/1\C(=O)[C@@H]2[C@@H]3[C@@H](CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)/O

  • Inchi: InChI=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

  • Inchikey: CNZIQHGDUXRUJS-PTNHGACKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H20N2O3

  • Molecular weight: 336.40

  • Monoisotopic mass: 336.1473925

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