(Q105134801)

English

(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

group of stereoisomers with the chemical formula C₂₃H₂₃N₅O₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

433.175004216 dalton

1 reference

based on heuristic

inferred from SMILES

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

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isomeric SMILES

C=CC(C)(C)C12C=C(O)C(=O)N3/C(=C/c4cnc[nH]4)C(=O)NC31N(OC)c1ccccc12

1 reference

based on heuristic

inferred from InChI

found in taxon

Penicillium chrysogenum

2 references

stated in

Alkaloid (Meleagrine and Chrysogine) from endophytic fungi (Penicillium sp.) of Annona squamosa L.

stated in

Use of experimental design for the optimization of the production of new secondary metabolites by two Penicillium species.

Penicillium meleagrinum

2 references

stated in

Alkaloid (Meleagrine and Chrysogine) from endophytic fungi (Penicillium sp.) of Annona squamosa L.

stated in

Use of experimental design for the optimization of the production of new secondary metabolites by two Penicillium species.

Penicillium roqueforti

2 references

stated in

Alkaloid (Meleagrine and Chrysogine) from endophytic fungi (Penicillium sp.) of Annona squamosa L.

stated in

Use of experimental design for the optimization of the production of new secondary metabolites by two Penicillium species.

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+

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InChIKey

JTJJJLSLKZFEPJ-LICLKQGHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JTJJJLSLKZFEPJ-LICLKQGHSA-N

ChEBI ID

181935

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

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+

(Q105134801)

(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

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