Experimental Factor Ontology

Last uploaded: March 18, 2024
Preferred Name

acenocoumarol

Synonyms

4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one

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

Nicoumalone

acenocumarol

Nitrophenylacetylethyl-4-hydroxycoumarine

3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin

acenocoumarolum

Nitrovarfarian

acenocoumarol

Nicumalon

Definitions

A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group.

ID

http://purl.obolibrary.org/obo/CHEBI_53766

charge

0

database_cross_reference

NIST Chemistry WebBook:152-72-7

KEGG DRUG:152-72-7

DrugBank:152-72-7

Beilstein:1269370

KEGG DRUG:D07064

ChemIDplus:152-72-7

SNOMEDCT:79356008

ChEMBL:17275317

NCIt:C75152

MeSH:D000074

SNOMEDCT:387457003

DrugBank:DB01418

LINCS:LSM-5112

KEGG:D07064

Patent:US2648682

PMID:17275317

Reaxys:1269370

CAS:152-72-7

definition

A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group.

formula

C19H15NO6

has_alternative_id

CHEBI:494206

has_exact_synonym

4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one

has_obo_namespace

chebi_ontology

has_related_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

Nicoumalone

acenocumarol

Nitrophenylacetylethyl-4-hydroxycoumarine

3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin

acenocoumarolum

Nitrovarfarian

acenocoumarol

Nicumalon

has_role

http://purl.obolibrary.org/obo/CHEBI_50249

id

CHEBI:53766

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

VABCILAOYCMVPS-UHFFFAOYSA-N

label

acenocoumarol

mass

353.32550

monoisotopicmass

353.08994

notation

CHEBI:53766

prefLabel

acenocoumarol

smiles

CC(=O)CC(c1ccc(cc1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O

subClassOf

http://purl.obolibrary.org/obo/CHEBI_24532

Delete Subject Author Type Created
No notes to display
Create mapping

Delete Mapping To Ontology Source
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 DINTO 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 CHEBI SAME_URI
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 DINTO 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.obolibrary.org/obo/CHEBI_53766 CHEBI 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