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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 4:22,339,829...22,517,642
Ensembl chr 4:22,133,521...22,425,515
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 1:263,554,426...263,612,556
Ensembl chr 1:263,554,453...263,613,252
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 4:88,765,441...88,890,268
Ensembl chr 4:88,832,178...88,890,621
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      biological role 19732
        xenobiotic 18380
          benzoylhypaconine 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18493
                              organic divalent group 18486
                                organodiyl group 18486
                                  carbonyl group 18389
                                    carbonyl compound 18389
                                      carboxylic acid 18060
                                        aromatic carboxylic acid 10889
                                          benzoic acids 10858
                                            benzoate ester 4319
                                              benzoylhypaconine 3
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