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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: Beilstein:73066;   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



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benzoylaconine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP binding cassette subfamily B member 1A increases transport
multiple interactions
ISO 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 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709
JBrowse link
G Abcc2 ATP binding cassette subfamily C member 2 multiple interactions ISO [verlukast results in decreased activity of ABCC2 protein] which results in decreased transport of benzoylaconine CTD PMID:23200901 NCBI chr 1:242,664,657...242,723,239
Ensembl chr 1:242,664,657...242,723,238
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19918
    role 19894
      biological role 19892
        poison 18652
          toxin 16006
            phytotoxin 6460
              benzoylaconine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19918
    subatomic particle 19916
      composite particle 19916
        hadron 19916
          baryon 19916
            nucleon 19916
              atomic nucleus 19916
                atom 19916
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19811
                        carbon atom 19806
                          organic molecular entity 19806
                            organic group 18995
                              organic divalent group 18969
                                organodiyl group 18969
                                  carbonyl group 18922
                                    carbonyl compound 18922
                                      carboxylic acid 18646
                                        aromatic carboxylic acid 12279
                                          benzoic acids 12254
                                            benzoate ester 5586
                                              benzoylaconine 2
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