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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:beta-lapachone
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Accession:CHEBI:10429 term browser browse the term
Definition:A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities.
Synonyms:exact_synonym: 2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
 related_synonym: 3,4-dihydro-2,2-dimethyl-2H-naphtho(1,2-b)pyran-5,6-dione;   ARQ 501;   Formula=C15H14O3;   InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3;   InChIKey=QZPQTZZNNJUOLS-UHFFFAOYSA-N;   SMILES=CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O;   beta-lap
 alt_id: CHEBI:66546
 xref: CAS:4707-32-8;   KEGG:C10367;   KNApSAcK:C00002836
 xref_mesh: MESH:C014638
 xref: PMID:16822200;   PMID:16891723;   PMID:18180274;   PMID:18227145;   PMID:18424157;   PMID:18706870;   PMID:19051226;   PMID:22560628;   PMID:22736525;   PMID:23010281;   PMID:23071729;   PMID:23865001;   PMID:25448047;   PMID:26328485;   PMID:3652040;   PMID:6704108;   Reaxys:181499



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    Path 1
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      CHEBI ontology 22355
        role 22341
          application 21975
            anti-inflammatory agent 17445
              beta-lapachone 3241
    Path 2
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      CHEBI ontology 22355
        subatomic particle 22350
          composite particle 22350
            hadron 22350
              baryon 22350
                nucleon 22350
                  atomic nucleus 22350
                    atom 22350
                      main group element atom 22239
                        p-block element atom 22239
                          p-block molecular entity 22239
                            carbon group molecular entity 22044
                              organic molecular entity 21985
                                heteroorganic entity 21629
                                  organochalcogen compound 21132
                                    organooxygen compound 20969
                                      carbonyl compound 20311
                                        ketone 18064
                                          cyclic ketone 16631
                                            quinone 10047
                                              orthoquinones 3303
                                                beta-lapachone 3241
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