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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 22327
        role 22313
          application 21949
            anti-inflammatory agent 17457
              beta-lapachone 3239
    Path 2
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      CHEBI ontology 22327
        subatomic particle 22322
          composite particle 22322
            hadron 22322
              baryon 22322
                nucleon 22322
                  atomic nucleus 22322
                    atom 22322
                      main group element atom 22204
                        p-block element atom 22204
                          p-block molecular entity 22204
                            carbon group molecular entity 22007
                              organic molecular entity 21947
                                heteroorganic entity 21597
                                  organochalcogen compound 21092
                                    organooxygen compound 20949
                                      carbonyl compound 20287
                                        ketone 18065
                                          cyclic ketone 16626
                                            quinone 10044
                                              orthoquinones 3301
                                                beta-lapachone 3239
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