(Q105134806)

(14E)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione

inferred from SMILES

1 reference

inferred from SMILES

mass

433.175004216 dalton

1 reference

(1R,9S)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione

inferred from SMILES

stereoisomer of

2 references

inferred from InChIKey

(1S,9S,14Z)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione

inferred from InChI

1 reference

1 reference

(1S,9R,14Z)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione

1 reference

inferred from InChI

chemical formula

C₂₃H₂₃N₅O₄

0 references

canonical SMILES

C=CC(C)(C)C12C=C(O)C(=O)N3C(=Cc4cnc[nH]4)C(=O)NC31N(OC)c1ccccc12

0 references

isomeric SMILES

C=CC(C)(C)[C@@]12C=C(O)C(=O)N3/C(=C/c4cnc[nH]4)C(=O)N[C@]31N(OC)c1ccccc12

0 references

found in taxon

Penicillium chrysogenum

2 references

Studies on fungal products. VII. The structures of meleagrin and 9-O-p-bromobenzoylmeleagrin.

The first sorbicillinoid alkaloids, the antileukemic sorbicillactones A and B, from a sponge-derived Penicillium chrysogenum strain

Penicillium meleagrinum

1 reference

Studies on fungal products. VII. The structures of meleagrin and 9-O-p-bromobenzoylmeleagrin.

Aspergillus nidulans

1 reference

Meleagrin from marine fungus Emericella dentata Nq45: crystal structure and diverse biological activity studies

Identifiers

InChI

InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1

0 references

0 references

CAS Registry Number

71751-77-4

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

1 reference

MassBank accession ID

MSBNK-AAFC-AC000189

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

UNII

5780K492K3

1 reference

Natural Product Atlas ID

NPA035505

2 references

inferred from InChIKey