Link to this page
Biological and Environmental Research Ontology
| Preferred Name | alsterpaullone | |
| Synonyms |
9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one 9-nitropaullone 9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one 14-nitro-8,18-diazatetracyclo[9.7.0.0({2,7}).0({12,17})]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE |
|
| Definitions |
An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_138488 |
|
| alternative term |
9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one 9-nitropaullone 9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one 14-nitro-8,18-diazatetracyclo[9.7.0.0({2,7}).0({12,17})]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE
|
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50925 http://purl.obolibrary.org/obo/CHEBI_91092 http://purl.obolibrary.org/obo/CHEBI_82665 |
|
| charge |
0
|
|
| database_cross_reference |
Reaxys:8340480 PMID:26061748 PMID:22052821 PMID:10425100 DrugBank:DB04014 PMID:20334651 PMID:26442525 CAS:237430-03-4 Pubchem:24890918 PMID:12669310 PMID:23577282 PDBeChem:ATU LINCS:LSM-6558 Chemspider:4185120 PDB:1Q3W
|
|
| definition |
An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole.
|
|
| formula |
C16H11N3O3
|
|
| has_alternative_id |
CHEBI:40939
|
|
| has_exact_synonym |
9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
|
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one 9-nitropaullone 9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one 14-nitro-8,18-diazatetracyclo[9.7.0.0({2,7}).0({12,17})]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE
|
|
| id |
CHEBI:138488
|
|
| in_subset | ||
| inchi |
InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
|
|
| inchikey |
OLUKILHGKRVDCT-UHFFFAOYSA-N
|
|
| label |
alsterpaullone
|
|
| mass |
293.277
|
|
| monoisotopicmass |
293.08004
|
|
| notation |
CHEBI:138488
|
|
| prefLabel |
alsterpaullone
|
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50925 http://purl.obolibrary.org/obo/CHEBI_91092 http://purl.obolibrary.org/obo/CHEBI_82665 |
|
| smiles |
C12=CC=C(C=C2C=3CC(NC4=CC=CC=C4C3N1)=O)[N+](=O)[O-]
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_23000 |
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |