loading...| Preferred Name |
alsterpaullone |
|
| Synonyms |
9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-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-nitropaullone 9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-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 |
|
| charge |
0 |
|
| database_cross_reference |
Reaxys:8340480 CAS:237430-03-4 PMID:26061748 Pubchem:24890918 PMID:20334651 PMID:22052821 LINCS:LSM-6558 DrugBank:DB04014 PMID:10425100 PMID:23577282 PDB:1Q3W Chemspider:4185120 PMID:12669310 PMID:26442525 PDBeChem:ATU |
|
| 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 functional parent | ||
| has role |
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 |
|
| has_alternative_id |
CHEBI:40939 |
|
| has_exact_synonym |
9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-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-nitropaullone 9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-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 |
|
| smiles |
C12=CC=C(C=C2C=3CC(NC4=CC=CC=C4C3N1)=O)[N+](=O)[O-] |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_23000 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_23000 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_138488 | BERO | SAME_URI | |
| http://purl.bioontology.org/ontology/MESH/C120793 | MESH | LOOM | |
| https://go.drugbank.com/drugs/DB04014 | MDM | LOOM | |
| http://phenomebrowser.net/ontologies/mesh/mesh.owl#C120793 | RH-MESH | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_138488 | BERO | LOOM | |
| http://purl.obolibrary.org/obo/dinto_DB04014 | DINTO | LOOM |