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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 19911
    role 19887
      biological role 19885
        xenobiotic 18773
          benzoylhypaconine 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19909
          baryon 19909
            nucleon 19909
              atomic nucleus 19909
                atom 19909
                  main group element atom 19859
                    p-block element atom 19859
                      carbon group element atom 19803
                        carbon atom 19799
                          organic molecular entity 19799
                            organic group 18986
                              organic divalent group 18961
                                organodiyl group 18961
                                  carbonyl group 18917
                                    carbonyl compound 18917
                                      carboxylic acid 18641
                                        aromatic carboxylic acid 12255
                                          benzoic acids 12230
                                            benzoate ester 5582
                                              benzoylhypaconine 3
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