(Q104918254)

English

2-bromo-4-[(4Z)-5-hydroxy-2-imino-3H-imidazol-4-ylidene]-1H,5H,6H,7H-pyrrolo[2,3-c]azepin-8-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkaloid

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mass

323.00178666 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₁H₁₀BrN₅O₂

0 references

canonical SMILES

N=C1NC(=O)C(=C2CCNC(=O)c3[nH]c(Br)cc32)N1

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isomeric SMILES

N=C1NC(=O)/C(=C2\CCNC(=O)c3[nH]c(Br)cc32)N1

1 reference

4 references

New alkaloids from the indopacific sponge Stylissa carteri

stated in

Bioactive alkaloids from the tropical marine sponge Axinella carteri.

stated in

Bioactive alkaloids from the tropical marine sponge Axinella carteri.

stated in

Nitrogen-containing metabolites of the marine spongeAcanthella carteri

Stylissa

1 reference

stated in

New bioactive alkaloids from the marine sponge Stylissa sp.

Stylissa massa

4 references

stated in

Aldisine alkaloids from the Philippine sponge Stylissa massa are potent inhibitors of mitogen-activated protein kinase kinase-1 (MEK-1).

stated in

Marine natural products. XII. On the chemical constituents of the Okinawan marine sponge Hymeniacidon aldis.

stated in

Z-Axinohydantoin and Debromo-Z-Axinohydantoin from the SpongeStylotella aurantium: Inhibitors of Protein Kinase C

stated in

Spongiacidin C, a pyrrole alkaloid from the marine sponge Stylissa massa, functions as a USP7 inhibitor

Cymbastela cantharella

1 reference

stated in

Dihydrohymenialdisines, new pyrrole-2-aminoimidazole alkaloids from the marine sponge Cymbastela cantharella

Acanthella dendyi

1 reference

stated in

Antineoplastic agents. 362. Isolation and X-ray crystal structure of dibromophakellstatin from the Indian ocean sponge Phakellia mauritiana

Hymeniacidon

1 reference

stated in

Antineoplastic agents. 168. Isolation and structure of axinohydantoin

Axinellidae

1 reference

stated in

Pyrrole derivatives from the marine spongeAxinellidae Gen sp.

Axinella

1 reference

stated in

Antineoplastic agents. 168. Isolation and structure of axinohydantoin

Identifiers

InChI

InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-

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InChIKey

ATBAETXFFCOZOY-DAXSKMNVSA-N

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CAS Registry Number

82005-12-7

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ATBAETXFFCOZOY-DAXSKMNVSA-N

SureChEMBL ID

SCHEMBL15426167

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ATBAETXFFCOZOY-DAXSKMNVSA-N

SCHEMBL155899

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ATBAETXFFCOZOY-DAXSKMNVSA-N

KNApSAcK ID

C00049342

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ATBAETXFFCOZOY-DAXSKMNVSA-N

UNII

5WMS4GA67M

1 reference

matched by identifier from

InChIKey

ATBAETXFFCOZOY-DAXSKMNVSA-N

Probes And Drugs ID

PD018085

0 references

(Q104918254)

2-bromo-4-[(4Z)-5-hydroxy-2-imino-3H-imidazol-4-ylidene]-1H,5H,6H,7H-pyrrolo[2,3-c]azepin-8-one

Statements

Identifiers

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