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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:benzoylmesaconine
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Accession:CHEBI:132630 term browser browse the term
Definition:A diterpene alkaloid with formula C31H43NO10 that is isolated from several Aconitum species.
Synonyms:exact_synonym: 3alpha,8,13,15alpha-tetrahydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14alpha-yl benzoate
 related_synonym: (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-3,8,13,15-tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate;   14-benzoylmesaconine;   Formula=C31H43NO10;   InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1;   InChIKey=PULWZCUZNRVAHT-IJNXHYLPSA-N;   Mesaconine 14-benzoate;   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)CN4C)[H])OC)[H]
 xref: CAS:63238-67-5
 xref_mesh: MESH:C085283
 xref: PMID:12543043;   PMID:22375424;   PMID:22715726;   PMID:23411001;   PMID:23707213;   PMID:24170571;   PMID:24190290;   PMID:24343604;   PMID:24380294;   PMID:24793215;   PMID:25095352;   PMID:25324527;   PMID:25329869;   PMID:25744397;   PMID:26274911;   PMID:27048641;   PMID:27183898;   PMID:27357588;   PMID:27818926;   PMID:7997462;   PMID:8282271;   PMID:9682963;   PMID:9682964;   Reaxys:23777137;   Reaxys:26721269;   Reaxys:72534


show annotations for term's descendants           Sort by:
benzoylmesaconine 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 benzoylmesaconine
[Cyclosporine results in decreased activity of ABCB1 protein] which results in decreased transport of benzoylmesaconine; [Verapamil results in decreased activity of ABCB1 protein] which results in decreased transport of benzoylmesaconine 		CTD PMID:23200901 NCBI chr 4:26,312,403...26,488,456
Ensembl chr 4:26,312,409...26,397,135 		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 benzoylmesaconine CTD PMID:23200901 NCBI chr 1:252,613,875...252,672,459
Ensembl chr 1:252,614,017...252,673,471 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      biological role 20818
        pharmacological role 19911
          analgesic 14901
            benzoylmesaconine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    main group molecular entity 20781
                      s-block molecular entity 20574
                        hydrogen molecular entity 20558
                          hydrides 19693
                            organic hydride 19079
                              organic fundamental parent 19079
                                hydrocarbon 18731
                                  terpene 14163
                                    terpenoid 13875
                                      diterpenoid 13091
                                        diterpene alkaloid 517
                                          aconitane 506
                                            benzoylmesaconine 2
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