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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:benzoylaconine
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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: CAS:466-24-0;   KNApSAcK:C00027683
 xref_mesh: MESH:C047307
 xref: PMID:20862641;   PMID:24170571;   PMID:24343604;   PMID:24793215;   PMID:25324527;   PMID:25744397;   PMID:25907585;   PMID:26360128;   PMID:26390658;   PMID:26896350;   PMID:27019554;   PMID:27048641;   PMID:27183898;   PMID:27328130;   PMID:27357588;   PMID:27761113;   Reaxys:15746817;   Reaxys:20368453;   Reaxys:73066


show annotations for term's descendants           Sort by:
benzoylaconine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G ABCB1 ATP binding cassette subfamily B member 1 increases transport
multiple interactions		 EXP ABCB1 protein results in increased transport of benzoylaconine
[Cyclosporine results in decreased activity of ABCB1 protein] which results in decreased transport of benzoylaconine; [Verapamil results in decreased activity of ABCB1 protein] which results in decreased transport of benzoylaconine		 CTD PMID:23200901 NCBI chr 7:87,503,017...87,713,295
Ensembl chr 7:87,503,017...87,713,323 		JBrowse link
G ABCC2 ATP binding cassette subfamily C member 2 multiple interactions EXP [verlukast results in decreased activity of ABCC2 protein] which results in decreased transport of benzoylaconine CTD PMID:23200901 NCBI chr10:99,782,640...99,852,594
Ensembl chr10:99,782,640...99,852,594 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26503
    role 26325
      biological role 26304
        poison 22419
          toxin 18431
            phytotoxin 6949
              benzoylaconine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 26503
    subatomic particle 26479
      composite particle 26479
        hadron 26479
          baryon 26479
            nucleon 26479
              atomic nucleus 26479
                atom 26479
                  main group element atom 26216
                    main group molecular entity 26216
                      s-block molecular entity 25453
                        hydrogen molecular entity 24860
                          hydrides 23080
                            organic hydride 22044
                              organic fundamental parent 22044
                                hydrocarbon 21483
                                  terpene 14726
                                    terpenoid 14365
                                      diterpenoid 13548
                                        diterpene alkaloid 512
                                          aconitane 501
                                            benzoylaconine 2
paths to the root