Roquefortine C (Q7366803)

inferred from InChIKey

(1R,4Z,7R,9S)-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

inferred from InChI

2 references

inferred from InChIKey

1 reference

C₂₂H₂₃N₅O₂

0 references

canonical SMILES

CC(C)(C=C)C12CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3C1NC5=CC=CC=C25

0 references

isomeric SMILES

CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3[C@@H]1NC5=CC=CC=C25

0 references

found in taxon

Penicillium crustosum

1 reference

Roquefortine, an intermediate in the biosynthesis of oxaline in cultures of Penicillium oxalicum

Penicillium solitum

2 references

Roquefortine, an intermediate in the biosynthesis of oxaline in cultures of Penicillium oxalicum

Biosynthesis of roquefortine and 3,12-dihydroroquefortine by the culturePenicillium farinosum

Penicillium farinosum

1 reference

Biosynthesis of roquefortine and 3,12-dihydroroquefortine by the culturePenicillium farinosum

Penicillium oxalicum

1 reference

Roquefortine, an intermediate in the biosynthesis of oxaline in cultures of Penicillium oxalicum

Penicillium piscarium

1 reference

Diketopiperazine Alkaloids from the fungusPenicillium piscarium westling

Penicillium simplicissimum

1 reference

Diketopiperazine Alkaloids from the fungusPenicillium piscarium westling

Penicillium roqueforti

2 references

The biosynthesis of the mould metabolites roquefortine and aszonalenin from L-[2,4,5,6,7-2H5]Tryptophan

The biosynthesis of roquefortine. An investigation of acetate and mevalonate incorporation using high field n.m.r. spectroscopy

Gymnoascus reessii

1 reference

Roquefortine E, a diketopiperazine from an Australian isolate of Gymnoascus reessii.

Huperzia serrata

1 reference

Diketopiperazine Alkaloids fromPenicilliumspp. HS-3, an Endophytic Fungus inHuperzia serrata

Penicillium chrysogenum

1 reference

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

Penicillium verrucosum

1 reference

Isolation and Structure Determination of a New Roquefortine-Related Mycotoxin from Penicillium verrucosum var. cyclopium Isolated from Cassava

Hordeum vulgare

1 reference

Isolation of Roquefortine C from Feed Grain

Cordyceps farinosa

1 reference

Biosynthesis of roquefortine and 3,12-dihydroroquefortine by the culturePenicillium farinosum

Identifiers

InChI

InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9 /t17-,20-,22 /m0/s1

0 references

0 references

CAS Registry Number

58735-64-1

1 reference

https://commonchemistry.cas.org/detail?cas_rn=58735-64-1

10 April 2021

2 references

ChEBI ID

183713

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9 /t17-,20-,22 /m0/s1

1 reference

MassBank accession ID

MSBNK-AAFC-AC000214

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

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

Hazardous Substances Data Bank

28 October 2019

ROQUEFORTINE (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID20891816

1 reference

DSSTOX compound identifier

0 references

0 references

1 reference

Natural Product Atlas ID

NPA016637

2 references

inferred from InChIKey