The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Preferred Name	alsterpaullone
Synonyms	C16H11N3O3 14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2(7),3,5,12,14,16-heptaen-9-one
ID	http://purl.obolibrary.org/obo/dinto_DB04014
binds	http://purl.obolibrary.org/obo/dinto_0802 http://purl.obolibrary.org/obo/dinto_0869 http://purl.obolibrary.org/obo/dinto_0530 http://purl.obolibrary.org/obo/dinto_4101
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	InChIKey=OLUKILHGKRVDCT-UHFFFAOYSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_0802
label	alsterpaullone
prefixIRI	obo2:dinto_DB04014
prefLabel	alsterpaullone
related with	http://purl.obolibrary.org/obo/dinto_0869 http://purl.obolibrary.org/obo/dinto_0530 http://purl.obolibrary.org/obo/dinto_4101
SMILES	[O-][N+](=O)C1=CC2=C(NC3=C2CC(=O)NC2=C3C=CC=C2)C=C1
Synonym	C16H11N3O3 14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2(7),3,5,12,14,16-heptaen-9-one
xref	BindingDB:7262 ChemSpider:4185120 PubChem Compound:5005498 PubChem Substance:46504736 PDB:ATU
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
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/CHEBI_138488	CHEBI	LOOM