The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	acenocoumarol
Synonyms	4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one Nitrowarfarin 3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin 3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin Acenocoumarin 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one 3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin Acenocumarolo Acenokumarin 3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one Nicoumalone acenocumarol Nitrophenylacetylethyl-4-hydroxycoumarine 3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin acenocoumarolum Nitrovarfarian acenocoumarol Nicumalon C19H15NO6
ID	http://purl.obolibrary.org/obo/CHEBI_53766
AHFScode	20:12.04.08
altId	CHEBI:494206
ATCCode	B01AA07
CASRN	152-72-7
DBBrand	sincoumar sinthrome syntrom ascumar zotil sinthrom syncoumar mini-sintrom syncumar sinkumar neositron sintrom
DBname	acenocoumarol
DBSynonym	nitrowarfarin acenocoumarin nitrovarfarian acenocoumarolum [inn-latin] nitrophenylacetylethyl-4-hydroxycoumarine nicoumalone nicumalon
Definition	A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group.
has pharmacological target	http://purl.obolibrary.org/obo/dinto_3471
has role	http://purl.obolibrary.org/obo/CHEBI_50249 http://purl.obolibrary.org/obo/CHEBI_50390
InChI	InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
InChIKey	InChIKey=VABCILAOYCMVPS-UHFFFAOYSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_3471
is metabolised by	http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_0901
label	acenocoumarol
may interact with	http://purl.obolibrary.org/obo/CHEBI_31348 http://purl.obolibrary.org/obo/dinto_DB00469 http://purl.obolibrary.org/obo/CHEBI_41879 http://purl.obolibrary.org/obo/CHEBI_5001 http://purl.obolibrary.org/obo/CHEBI_5004 http://purl.obolibrary.org/obo/CHEBI_102524 http://purl.obolibrary.org/obo/CHEBI_9352 http://purl.obolibrary.org/obo/dinto_DB00400 http://purl.obolibrary.org/obo/CHEBI_2948 http://purl.obolibrary.org/obo/CHEBI_5296 http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/CHEBI_4315 http://purl.obolibrary.org/obo/CHEBI_10100 http://purl.obolibrary.org/obo/CHEBI_49668 http://purl.obolibrary.org/obo/CHEBI_18332 http://purl.obolibrary.org/obo/dinto_DB00822 http://purl.obolibrary.org/obo/CHEBI_41774 http://purl.obolibrary.org/obo/CHEBI_50673 http://purl.obolibrary.org/obo/dinto_DB00794 http://purl.obolibrary.org/obo/CHEBI_32221 http://purl.obolibrary.org/obo/CHEBI_6715 http://purl.obolibrary.org/obo/CHEBI_102166 http://purl.obolibrary.org/obo/CHEBI_37924 http://purl.obolibrary.org/obo/CHEBI_7936 http://purl.obolibrary.org/obo/CHEBI_149836 http://purl.obolibrary.org/obo/dinto_DB00224 http://purl.obolibrary.org/obo/CHEBI_4882 http://purl.obolibrary.org/obo/dinto_DB00196 http://purl.obolibrary.org/obo/CHEBI_499361 http://purl.obolibrary.org/obo/CHEBI_8497 http://purl.obolibrary.org/obo/dinto_DB00648 http://purl.obolibrary.org/obo/CHEBI_49662 http://purl.obolibrary.org/obo/CHEBI_3499 http://purl.obolibrary.org/obo/CHEBI_2955 http://purl.obolibrary.org/obo/CHEBI_4027 http://purl.obolibrary.org/obo/CHEBI_40050 http://purl.obolibrary.org/obo/CHEBI_63611 http://purl.obolibrary.org/obo/CHEBI_8249 http://purl.obolibrary.org/obo/dinto_DB00806 http://purl.obolibrary.org/obo/CHEBI_15365 http://purl.obolibrary.org/obo/CHEBI_3750 http://purl.obolibrary.org/obo/CHEBI_63609 http://purl.obolibrary.org/obo/CHEBI_3077 http://purl.obolibrary.org/obo/dinto_DB00894 http://purl.obolibrary.org/obo/CHEBI_8069 http://purl.obolibrary.org/obo/CHEBI_3699 http://purl.obolibrary.org/obo/CHEBI_41423 http://purl.obolibrary.org/obo/CHEBI_8776 http://purl.obolibrary.org/obo/dinto_DB01437 http://purl.obolibrary.org/obo/CHEBI_2654 http://purl.obolibrary.org/obo/CHEBI_40303 http://purl.obolibrary.org/obo/CHEBI_8382 http://purl.obolibrary.org/obo/CHEBI_17650 http://purl.obolibrary.org/obo/CHEBI_7731 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/CHEBI_7476 http://purl.obolibrary.org/obo/CHEBI_7822 http://purl.obolibrary.org/obo/CHEBI_50845 http://purl.obolibrary.org/obo/CHEBI_63598 http://purl.obolibrary.org/obo/CHEBI_39669 http://purl.obolibrary.org/obo/CHEBI_5855 http://purl.obolibrary.org/obo/dinto_DB00461 http://purl.obolibrary.org/obo/CHEBI_72014 http://purl.obolibrary.org/obo/CHEBI_5120 http://purl.obolibrary.org/obo/dinto_DB00237 http://purl.obolibrary.org/obo/CHEBI_29007 http://purl.obolibrary.org/obo/CHEBI_100147 http://purl.obolibrary.org/obo/CHEBI_8502 http://purl.obolibrary.org/obo/CHEBI_100241 http://purl.obolibrary.org/obo/CHEBI_100246 http://purl.obolibrary.org/obo/dinto_DB01420 http://purl.obolibrary.org/obo/dinto_DB01110 http://purl.obolibrary.org/obo/CHEBI_5130 http://purl.obolibrary.org/obo/CHEBI_5138 http://purl.obolibrary.org/obo/CHEBI_5136 http://purl.obolibrary.org/obo/CHEBI_175901 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_8466 http://purl.obolibrary.org/obo/dinto_DB00848 http://purl.obolibrary.org/obo/CHEBI_3720 http://purl.obolibrary.org/obo/CHEBI_3723 http://purl.obolibrary.org/obo/CHEBI_50885 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_209807 http://purl.obolibrary.org/obo/CHEBI_6909 http://purl.obolibrary.org/obo/CHEBI_40279 http://purl.obolibrary.org/obo/CHEBI_50861 http://purl.obolibrary.org/obo/dinto_DB00784 http://purl.obolibrary.org/obo/CHEBI_48574 http://purl.obolibrary.org/obo/CHEBI_45367 http://purl.obolibrary.org/obo/CHEBI_4909 http://purl.obolibrary.org/obo/CHEBI_6339 http://purl.obolibrary.org/obo/dinto_DB00814 http://purl.obolibrary.org/obo/CHEBI_27902 http://purl.obolibrary.org/obo/CHEBI_45979 http://purl.obolibrary.org/obo/CHEBI_28593 http://purl.obolibrary.org/obo/dinto_DB01118 http://purl.obolibrary.org/obo/dinto_DB03585 http://purl.obolibrary.org/obo/dinto_DB00199 http://purl.obolibrary.org/obo/dinto_DB00465 http://purl.obolibrary.org/obo/dinto_DB00977 http://purl.obolibrary.org/obo/CHEBI_50667 http://purl.obolibrary.org/obo/CHEBI_4511 http://purl.obolibrary.org/obo/dinto_DB00509 http://purl.obolibrary.org/obo/CHEBI_51450 http://purl.obolibrary.org/obo/dinto_DB01319 http://purl.obolibrary.org/obo/CHEBI_6128 http://purl.obolibrary.org/obo/CHEBI_8378 http://purl.obolibrary.org/obo/dinto_DB01320 http://purl.obolibrary.org/obo/dinto_DB00624 http://purl.obolibrary.org/obo/CHEBI_73044 http://purl.obolibrary.org/obo/CHEBI_15854 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/CHEBI_27999 http://purl.obolibrary.org/obo/CHEBI_71418 http://purl.obolibrary.org/obo/CHEBI_28077 http://purl.obolibrary.org/obo/CHEBI_59602 http://purl.obolibrary.org/obo/dinto_DB01381 http://purl.obolibrary.org/obo/dinto_DB01432 http://purl.obolibrary.org/obo/CHEBI_50694 http://purl.obolibrary.org/obo/CHEBI_46345 http://purl.obolibrary.org/obo/CHEBI_63613 http://purl.obolibrary.org/obo/dinto_DB00220 http://purl.obolibrary.org/obo/CHEBI_4392 http://purl.obolibrary.org/obo/dinto_DB01157 http://purl.obolibrary.org/obo/dinto_DB00976 http://purl.obolibrary.org/obo/CHEBI_45783 http://purl.obolibrary.org/obo/dinto_DB00951 http://purl.obolibrary.org/obo/CHEBI_46195 http://purl.obolibrary.org/obo/dinto_DB01083 http://purl.obolibrary.org/obo/CHEBI_5118 http://purl.obolibrary.org/obo/CHEBI_6402
prefixIRI	obo2:CHEBI_53766
prefLabel	acenocoumarol
related with	http://purl.obolibrary.org/obo/dinto_3582 http://purl.obolibrary.org/obo/dinto_0217
SMILES	CC(=O)CC(c1ccc(cc1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O CC(=O)CC(C1=CC=C(C=C1)[N+]([O-])=O)C1=C(O)C2=CC=CC=C2OC1=O
Synonym	4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one Nitrowarfarin 3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin 3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin Acenocoumarin 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one 3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin Acenocumarolo Acenokumarin 3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one Nicoumalone acenocumarol Nitrophenylacetylethyl-4-hydroxycoumarine 3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin acenocoumarolum Nitrovarfarian acenocoumarol Nicumalon C19H15NO6
xref	Drugs Product Database (DPD):10383 DrugBank:DB01418 DrugBank:152-72-7 ChEBI:53766 CASRN:152-72-7 Wikipedia:http://en.wikipedia.org/wiki/Acenocoumarol Beilstein:1269370 ChEMBL:17275317 NIST Chemistry WebBook:152-72-7 KEGG DRUG:D07064 Patent:US2648682 Reaxys:1269370 PharmGKB:PA452632
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_53766	EFO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_53766	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_53766	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_53766	FIDEO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_53766	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_53766	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_53766	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_53766	EFO	LOOM
http://purl.obolibrary.org/obo/CHEBI_53766	CHEBI	LOOM
http://purl.obolibrary.org/obo/NCIT_C75152	BERO	LOOM
http://purl.bioontology.org/ontology/NDDF/002087	NDDF	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C75152	NCIT	LOOM
http://purl.bioontology.org/ontology/ATC/B01AA07	ATC	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.438.150.446.520.079	RH-MESH	LOOM
http://purl.obolibrary.org/obo/CHEBI_53766	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_53766	FIDEO	LOOM
http://purl.obolibrary.org/obo/CHEBI_53766	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_53766	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_53766	DRON	LOOM
http://purl.bioontology.org/ontology/MESH/D000074	MESH	LOOM
http://purl.bioontology.org/ontology/SNMI/C-A6570	SNMI	LOOM
https://go.drugbank.com/drugs/DB01418	MDM	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387457003	SNOMEDCT	LOOM
http://purl.obolibrary.org/obo/MESH_D000074	BERO	LOOM
http://stirdf.jst.go.jp/id/200907089265171487	IOBC	LOOM
http://purl.bioontology.org/ontology/RXNORM/154	RXNORM	LOOM
http://purl.obolibrary.org/obo/OMIT_0001519	OMIT	LOOM
http://purl.jp/bio/4/id/200906050955859859	IOBC	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00017662	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/LNC/LP33033-9	LOINC	LOOM
http://www.drugbank.ca/drugs/DB01418	FTC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#595	OCHV	LOOM
http://bmi.utah.edu/ontologies/peontology/C0000956	PE	LOOM
http://purl.bioontology.org/ontology/LNC/MTHU016362	LOINC	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D000074	RH-MESH	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000750633	PDQ	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0000956	OCHV	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.830.219.446.520.079	RH-MESH	LOOM