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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:colforsin daropate
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Accession:CHEBI:166826 term browser browse the term
Definition:A carboxylic ester resuting from the formal condensation of the carboxy group of N,N-dimethyl-beta-alanine with the 6-hydroxy group of forskolin. It is an adenylate cyclase activator.
Synonyms:exact_synonym: (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-6-yl N,N-dimethyl-beta-alaninate
 related_synonym: (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-6-yl N,N-dimethyl-beta-alaninate;   6-(3-dimethylaminopropionyl)forskolin;   Formula=C27H43NO8;   InChI=1S/C27H43NO8/c1-10-24(5)15-18(31)27(33)25(6)17(30)11-13-23(3,4)21(25)20(35-19(32)12-14-28(8)9)22(34-16(2)29)26(27,7)36-24/h10,17,20-22,30,33H,1,11-15H2,2-9H3/t17-,20-,21-,22-,24-,25-,26+,27-/m0/s1;   InChIKey=RSOZZQTUMVBTMR-XGUNBQNXSA-N;   N,N-dimethyl-beta-alanine (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10-10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester;   SMILES=[H][C@@]12[C@H](OC(=O)CCN(C)C)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C;   colforsin dapropate
 xref: CAS:113462-26-3;   Drug_Central:729;   PMID:11939921;   PMID:12374721;   PMID:12499623;   PMID:12651654;   PMID:12826837;   PMID:14726224;   PMID:15160663;   PMID:15976198;   PMID:19953235;   PMID:22610350;   PMID:23439833;   PMID:23439837;   PMID:23625548
 cyclic_relationship: is_conjugate_base_of CHEBI:166832


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      biological role 20011
        pharmacological role 19090
          agonist 18635
            adenylate cyclase agonist 312
              colforsin daropate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic group 18988
                              organic divalent group 18950
                                organodiyl group 18974
                                  carbonyl group 18903
                                    carbonyl compound 18925
                                      ketone 17115
                                        oxyketone 8775
                                          alpha-oxyketone 8775
                                            alpha-hydroxy ketone 8783
                                              tertiary alpha-hydroxy ketone 8479
                                                forskolin 4
                                                  colforsin daropate 0
paths to the root