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ONTOLOGY REPORT - ANNOTATIONS


Term:4alpha-phorbol 12,13-didecanoate
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Accession:CHEBI:139299 term browser browse the term
Definition:A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted to the corresponding decanoate esters. A Trpv4-specific ligand.
Synonyms:exact_synonym: (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl didecanoate
 related_synonym: 12,13-didecanoyl-4alpha-phorbol;   4alphaPDD;   Formula=C40H64O8;   InChI=1S/C40H64O8/c1-7-9-11-13-15-17-19-21-32(42)47-36-28(4)39(46)30(24-29(26-41)25-38(45)31(39)23-27(3)35(38)44)34-37(5,6)40(34,36)48-33(43)22-20-18-16-14-12-10-8-2/h23-24,28,30-31,34,36,41,45-46H,7-22,25-26H2,1-6H3/t28-,30+,31-,34-,36-,38+,39-,40-/m1/s1;   InChIKey=DGOSGFYDFDYMCW-OEFRVDPMSA-N;   SMILES=C=1[C@]2([C@]3([C@@]([C@H](OC(=O)CCCCCCCCC)[C@H]([C@@]2([C@]4([C@](C(=O)C(=C4)C)(CC1CO)O)[H])O)C)(C3(C)C)OC(=O)CCCCCCCCC)[H])[H]
 xref: CAS:27536-56-7 "ChemIDplus";   PMID:12243861 "Europe PMC";   PMID:12729936 "Europe PMC";   PMID:15126053 "Europe PMC";   PMID:16439673 "Europe PMC";   PMID:16675722 "Europe PMC";   PMID:16954339 "Europe PMC";   PMID:17071727 "Europe PMC";   PMID:17124270 "Europe PMC";   PMID:17184838 "Europe PMC";   PMID:17636010 "Europe PMC";   PMID:18064606 "Europe PMC";   PMID:18206306 "Europe PMC";   PMID:18458941 "Europe PMC";   PMID:18826956 "Europe PMC";   PMID:18845910 "Europe PMC";   PMID:18945825 "Europe PMC";   PMID:19017361 "Europe PMC";   PMID:19033444 "Europe PMC";   PMID:19701771 "Europe PMC";   PMID:19759329 "Europe PMC";   PMID:19879881 "Europe PMC";   PMID:19948193 "Europe PMC";   PMID:20363225 "Europe PMC";   Pubchem:452544 "SUBMITTER";   Reaxys:2514323 "Reaxys"


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19764
    role 19711
      biological role 19710
        pharmacological role 18809
          agonist 18191
            TRPV4 agonist 0
              4alpha-phorbol 12,13-didecanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    p-block element atom 19646
                      carbon group element atom 19540
                        carbon atom 19529
                          organic molecular entity 19529
                            organic group 18432
                              organic divalent group 18423
                                organodiyl group 18423
                                  carbonyl group 18311
                                    carbonyl compound 18311
                                      ketone 15925
                                        oxyketone 8483
                                          alpha-oxyketone 8483
                                            alpha-hydroxy ketone 8483
                                              tertiary alpha-hydroxy ketone 8271
                                                phorbol 842
                                                  phorbol ester 842
                                                    4alpha-phorbol 12,13-didecanoate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.