Send us a Message



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

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
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;   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 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 19821
    role 19769
      biological role 19769
        poison 18322
          toxin 15401
            phytotoxin 3289
              benzoylaconine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      carboxylic acid 18373
                                        aromatic carboxylic acid 11710
                                          benzoic acids 11683
                                            benzoate ester 5035
                                              benzoylaconine 2
paths to the root