Preferred Name

idarubicin

Synonyms

(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside

5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S-cis)-

4-Demethoxydaunorubicin

4-Demethoxydaunomycin

(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside

ID

http://purl.obolibrary.org/obo/CHEBI_42068

charge

0

database_cross_reference

LINCS:LSM-5769

Beilstein:3641270

CAS:58957-92-9

Wikipedia:Idarubicin

DrugBank:DB01177

Drug_Central:1414

formula

C26H27NO9

has parent hydride

http://purl.obolibrary.org/obo/CHEBI_32600

has_alternative_id

CHEBI:42066

CHEBI:35758

has_exact_synonym

(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside

has_obo_namespace

chebi_ontology

has_related_synonym

5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S-cis)-

4-Demethoxydaunorubicin

4-Demethoxydaunomycin

(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside

id

CHEBI:42068

in_subset

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

inchi

InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1

inchikey

XDXDZDZNSLXDNA-TZNDIEGXSA-N

label

idarubicin

mass

497.49392

monoisotopicmass

497.16858

notation

CHEBI:42068

prefLabel

idarubicin

smiles

C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O

treeView

http://purl.obolibrary.org/obo/CHEBI_49322

http://purl.obolibrary.org/obo/CHEBI_63367

http://purl.obolibrary.org/obo/CHEBI_35315

subClassOf

http://purl.obolibrary.org/obo/CHEBI_49322

http://purl.obolibrary.org/obo/CHEBI_63367

http://purl.obolibrary.org/obo/CHEBI_35315

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http://purl.obolibrary.org/obo/CHEBI_42068 FYPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_42068 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_42068 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_42068 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_42068 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_42068 FYPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_42068 NIFSTD SAME_URI
http://purl.obolibrary.org/obo/CHEBI_42068 FYPO LOOM
http://purl.bioontology.org/ontology/VANDF/4019784 VANDF LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/372539000 SNOMEDCT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0020789 OCHV LOOM
http://purl.obolibrary.org/obo/NCIT_C562 BERO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.615.562.050.200.300 RH-MESH LOOM
http://bmi.utah.edu/ontologies/hfontology/C0020789 HFO LOOM
http://purl.bioontology.org/ontology/RCD/x01Ag RCD LOOM
https://go.drugbank.com/drugs/DB01177 MDM LOOM
http://purl.bioontology.org/ontology/RXNORM/5650 RXNORM LOOM
http://purl.org/obo/owl/CHEBI#CHEBI_42068 NPO LOOM
http://purl.jp/bio/4/id/200906060799807490 IOBC LOOM
http://www.ifomis.org/acgt/1.0#Idarubicin ACGT-MO LOOM
http://purl.bioontology.org/ontology/MESH/D015255 MESH LOOM
http://purl.obolibrary.org/obo/dinto_DB01177 DINTO LOOM
http://stirdf.jst.go.jp/id/200907043946904598 IOBC LOOM
http://purl.obolibrary.org/obo/OMIT_0016044 OMIT LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147874 NDFRT LOOM
http://purl.bioontology.org/ontology/ATC/L01DB06 ATC LOOM
http://purl.obolibrary.org/obo/MESH_D015255 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_42068 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_42068 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_42068 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_42068 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_42068 FYPO LOOM
http://purl.obolibrary.org/obo/CHEBI_42068 NIFSTD LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.455.426.559.847.562.050.200.300 RH-MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#6530 OCHV LOOM
http://www.phoc.org.cn/pmo/class/PMO_00016933 PMAPP-PMO LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C562 NCIT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D09.408.051.059.200.300 RH-MESH LOOM
http://www.co-ode.org/ontologies/galen#Idarubicin GALEN LOOM
http://www.drugbank.ca/drugs/DB01177 FTC LOOM
http://purl.bioontology.org/ontology/NDDF/004819 NDDF LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D015255 RH-MESH LOOM