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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:sofalcone
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Accession:CHEBI:135732 term browser browse the term
Definition:A member of the class of chalcones that is benzene in which the hydrogens at positions 1,2 and 5 are replaced by carboxymethoxy, (1E)-1-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-oxoprop-1-en-3-yl, and (3-methylbut-2-en-1-yl)oxy groups, respectively. It is a gastrointestinal drug currently used for treatment of gastritis and gastric ulcers in Japan and South Korea.
Synonyms:exact_synonym: {5-[(3-methylbut-2-en-1-yl)oxy]-2-[(2E)-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}prop-2-enoyl]phenoxy}acetic acid
 related_synonym: 2-[5-[(3-methyl-2-buten-1-yl)oxy]-2-[3-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]-1-oxo-2-propen-1-yl]phenoxy]-acetic acid;   Formula=C27H30O6;   InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)/b12-7+;   InChIKey=GFWRVVCDTLRWPK-KPKJPENVSA-N;   Lavin;   SMILES=CC(C)=CCOC1=CC=C(\\C=C\\C(=O)C2=C(OCC(O)=O)C=C(OCC=C(C)C)C=C2)C=C1;   SU-88;   Solon;   Tofalcone;   sofalcona;   sofalconum
 xref: CAS:153175-87-2;   CAS:64506-49-6;   DrugBank:DB05197;   Drug_Central:2456;   HMDB:HMDB0042013;   KEGG:D01956;   PMID:11979875;   PMID:15786539;   PMID:17586104;   PMID:19239904;   PMID:20586860;   PMID:20599750;   PMID:21530127;   PMID:25667213;   PMID:31386809;   PMID:31614142;   PMID:7084818;   PMID:7735929;   PMID:7835618;   PMID:8959521;   Patent:CN1733682;   Reaxys:2191482;   Wikipedia:Sofalcone

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  CHEBI ontology 0
    role 0
      biological role 0
        antimicrobial agent 0
          antibacterial agent 0
            sofalcone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      alpha,beta-unsaturated ketone 0
                                        enone 0
                                          chalcones 0
                                            sofalcone 0
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