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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:Ingenol 3,20-dibenzoate
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Accession:CHEBI:5923 term browser browse the term
Definition:A benzoate ester that has formula C34H36O7.
Synonyms:related_synonym: Formula=C34H36O7;   InChI=1S/C34H36O7/c1-19-17-33-20(2)15-25-26(32(25,3)4)24(28(33)36)16-23(18-40-30(37)21-11-7-5-8-12-21)27(35)34(33,39)29(19)41-31(38)22-13-9-6-10-14-22/h5-14,16-17,20,24-27,29,35,39H,15,18H2,1-4H3/t20-,24+,25-,26+,27-,29+,33+,34+/m1/s1;   InChIKey=GIMKEHNOTHXONN-NXBFFCPZSA-N;   SMILES=C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(=O)c4ccccc4)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=C[C@@]14C3=O)C2(C)C
 xref: CAS:59086-90-7;   KEGG:C09113;   KNApSAcK:C00003440
 xref_mesh: MESH:C011875


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Ingenol 3,20-dibenzoate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Pparg peroxisome proliferator-activated receptor gamma increases activity ISO ingenol dibenzoate results in increased activity of PPARG protein CTD PMID:15707588 NCBI chr 4:148,423,102...148,548,471
Ensembl chr 4:148,423,194...148,548,468 		JBrowse link
G Prkd1 protein kinase D1 increases activity ISO ingenol dibenzoate results in increased activity of PRKD1 protein CTD PMID:15707588 NCBI chr 6:67,725,193...68,039,002
Ensembl chr 6:67,725,905...68,039,042 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    chemical entity 19839
      group 19798
        inorganic group 19393
          oxo group 18898
            organic oxo compound 18898
              carbonyl compound 18898
                carboxylic ester 16736
                  benzoate ester 5584
                    Ingenol 3,20-dibenzoate 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            heteroorganic entity 19492
                              organochalcogen compound 19255
                                organooxygen compound 19172
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      aromatic carboxylic acid 12618
                                        benzoic acids 12595
                                          benzoate ester 5584
                                            Ingenol 3,20-dibenzoate 2
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