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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:benzoylhypaconine
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Accession:CHEBI:132634 term browser browse the term
Definition:A diterpene alkaloid with formula C31H43NO9 that is isolated from several Aconitum species.
Synonyms:exact_synonym: 8,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14alpha-yl benzoate
 related_synonym: (1alpha,6alpha,14alpha,15alpha,16beta)-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate;   14-O-Benzoylhypaconine;   3-Deoxymesaconine 14-benzoate;   Formula=C31H43NO9;   Hypaconine 14-benzoate;   InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1;   InChIKey=MDFCJNFOINXVSU-SQZQQIIISA-N;   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@](CC[C@@H]3OC)(COC)CN4C)[H])OC)[H]
 xref: CAS:63238-66-4
 xref_mesh: MESH:C479202
 xref: PMID:18778973;   PMID:22375424;   PMID:23101654;   PMID:23411001;   PMID:23576380;   PMID:23629873;   PMID:23707213;   PMID:24170571;   PMID:24216273;   PMID:24343604;   PMID:24469098;   PMID:24814003;   PMID:25095352;   PMID:25324527;   PMID:25744397;   PMID:26142559;   PMID:27048641;   PMID:27183898;   PMID:27357588;   Reaxys:22517577;   Reaxys:27901892;   Reaxys:71823



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benzoylhypaconine 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 multiple interactions
increases transport
ISO [Cyclosporine results in decreased activity of ABCB1 protein] which results in decreased transport of benzoylhypaconine; [Verapamil results in decreased activity of ABCB1 protein] which results in decreased transport of benzoylhypaconine
ABCB1 protein results in increased transport of benzoylhypaconine
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 benzoylhypaconine CTD PMID:23200901 NCBI chr 1:242,664,657...242,723,239
Ensembl chr 1:242,664,657...242,723,238
JBrowse link
G Abcg2 ATP binding cassette subfamily G member 2 multiple interactions ISO [3-(6-isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2'-1,6)pyrido(3,4-b)indol-3-yl)propionic acid tert-butyl ester results in decreased activity of ABCG2 protein] which results in decreased transport of benzoylhypaconine CTD PMID:23200901 NCBI chr 4:87,676,241...87,802,757
Ensembl chr 4:87,745,319...87,802,409
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      biological role 20011
        xenobiotic 18699
          benzoylhypaconine 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic group 18988
                              organic divalent group 18950
                                organodiyl group 18974
                                  carbonyl group 18903
                                    carbonyl compound 18925
                                      carboxylic acid 18597
                                        aromatic carboxylic acid 11811
                                          benzoic acids 11786
                                            benzoate ester 5092
                                              benzoylhypaconine 3
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