CHEBI:139299 - 4α-phorbol 12,13-didecanoate

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ChEBI Name 4α-phorbol 12,13-didecanoate ChEBI ID CHEBI:139299 ChEBI ASCII Name 4alpha-phorbol 12,13-didecanoate 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Sabrina Toro Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C40H64O8 Net Charge 0 Average Mass 672.933 Monoisotopic Mass 672.46012 InChI 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] Roles Classification Biological Role(s): TRPV4 agonist An agonist at the transient receptor potential vanilloid 4 (TRPV4). View more via ChEBI Ontology ChEBI Ontology Outgoing 4α-phorbol 12,13-didecanoate (CHEBI:139299) has role TRPV4 agonist (CHEBI:140061) 4α-phorbol 12,13-didecanoate (CHEBI:139299) is a decanoate ester (CHEBI:87658) 4α-phorbol 12,13-didecanoate (CHEBI:139299) is a diester (CHEBI:51307) 4α-phorbol 12,13-didecanoate (CHEBI:139299) is a phorbol ester (CHEBI:37532) 4α-phorbol 12,13-didecanoate (CHEBI:139299) is a primary allylic alcohol (CHEBI:134394) 4α-phorbol 12,13-didecanoate (CHEBI:139299) is a tertiary α-hydroxy ketone (CHEBI:139592) IUPAC Name (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 Synonyms Sources 12,13-didecanoyl-4α-phorbol ChEBI 4alpha-phorbol 12,13-didecanoate ChEBI 4alphaPDD SUBMITTER Manual Xref Database 452544 PubChem View more database links Registry Numbers Types Sources 2514323 Reaxys Registry Number Reaxys 27536-56-7 CAS Registry Number ChemIDplus Citations Types Sources 12243861 PubMed citation Europe PMC 12729936 PubMed citation Europe PMC 15126053 PubMed citation Europe PMC 16439673 PubMed citation Europe PMC 16675722 PubMed citation Europe PMC 16954339 PubMed citation Europe PMC 17071727 PubMed citation Europe PMC 17124270 PubMed citation Europe PMC 17184838 PubMed citation Europe PMC 17636010 PubMed citation Europe PMC 18064606 PubMed citation Europe PMC 18206306 PubMed citation Europe PMC 18458941 PubMed citation Europe PMC 18826956 PubMed citation Europe PMC 18845910 PubMed citation Europe PMC 18945825 PubMed citation Europe PMC 19017361 PubMed citation Europe PMC 19033444 PubMed citation Europe PMC 19701771 PubMed citation Europe PMC 19759329 PubMed citation Europe PMC 19879881 PubMed citation Europe PMC 19948193 PubMed citation Europe PMC 20363225 PubMed citation Europe PMC Last Modified 08 February 2018