Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   


go back to main search page
Accession:CHEBI:132633 term browser browse the term
Definition:A diterpene alkaloid with formula C32H45NO10 that is isolated from several Aconitum species.
Synonyms:exact_synonym: 20-ethyl-3alpha,8,13,15alpha-tetrahydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl benzoate
 related_synonym: (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-20-ethyl-3,8,13,15-tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate;   14-Benzoylaconine;   14-O-benzoylaconine;   Benzaconine;   Formula=C32H45NO10;   InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24?,25+,26-,27+,29+,30-,31+,32-/m1/s1;   InChIKey=DHJXZSFKLJCHLH-KYSNEVMMSA-N;   Picraconitine;   SMILES=[C@@]123C4[C@@]([C@]5([C@H]([C@@H]([C@]6(C[C@@]1([C@@]5([C@H]6OC(C=7C=CC=CC7)=O)[H])[H])O)OC)O)O)([C@@H]([C@@]2([C@]([C@@H](C[C@@H]3OC)O)(COC)CN4CC)[H])OC)[H];   aconine 14-benzoate;   aconine benzoate
 xref: Beilstein:73066 "ChemIDplus";   CAS:466-24-0 "ChemIDplus";   CAS:466-24-0 "KNApSAcK";   KNApSAcK:C00027683
 xref_mesh: MESH:C047307
 xref: PMID:20862641 "Europe PMC";   PMID:24170571 "Europe PMC";   PMID:24343604 "Europe PMC";   PMID:24793215 "Europe PMC";   PMID:25324527 "Europe PMC";   PMID:25744397 "Europe PMC";   PMID:25907585 "Europe PMC";   PMID:26360128 "Europe PMC";   PMID:26390658 "Europe PMC";   PMID:26896350 "Europe PMC";   PMID:27019554 "Europe PMC";   PMID:27048641 "Europe PMC";   PMID:27183898 "Europe PMC";   PMID:27328130 "Europe PMC";   PMID:27357588 "Europe PMC";   PMID:27761113 "Europe PMC";   Reaxys:15746817 "Reaxys";   Reaxys:20368453 "Reaxys";   Reaxys:73066 "Reaxys"

show annotations for term's descendants       view all columns           Sort by:
benzoylaconine term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Abcb1a ATP binding cassette subfamily B member 1A JBrowse link 4 22,339,829 22,517,642 RGD:6480464
G Abcc2 ATP binding cassette subfamily C member 2 JBrowse link 1 263,554,426 263,612,556 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19716
    role 19663
      biological role 19661
        poison 17949
          toxin 13817
            phytotoxin 3192
              benzoylaconine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    p-block element atom 19598
                      carbon group element atom 19486
                        carbon atom 19480
                          organic molecular entity 19480
                            organic group 18407
                              organic divalent group 18397
                                organodiyl group 18397
                                  carbonyl group 18285
                                    carbonyl compound 18285
                                      carboxylic acid 17940
                                        aromatic carboxylic acid 10745
                                          benzoic acids 10711
                                            benzoate ester 3992
                                              benzoylaconine 2
paths to the root


RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.