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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:himbacine
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Accession:CHEBI:5720 term browser browse the term
Definition:A piperidine alkaloid that is decahydronaphtho[2,3-c]furan-1(3H)-one substituted by a methyl group at position 3 and a 2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl group at position 4. It has been isolated from the bark of Australian magnolias.
Synonyms:exact_synonym: (3S,3aR,4R,4aS,8aR,9aS)-4-{(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl}-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-one
 related_synonym: Formula=C22H35NO2;   InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1;   InChIKey=FMPNFDSPHNUFOS-LPJDIUFZSA-N;   SMILES=C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\\C=C\\[C@H]3CCC[C@H](C)N3C)[C@@H]12
 xref: CAS:6879-74-9;   KEGG:C10598;   KNApSAcK:C00002343
 xref_mesh: MESH:C048172
 xref: PMID:15704900;   PMID:20385108;   PMID:21885618;   PMID:22405832;   PMID:24695732;   Reaxys:4734384;   Wikipedia:Himbacine



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Path 1
Term Annotations click to browse term
  CHEBI ontology 20050
    role 20001
      biological role 20000
        biochemical role 19624
          metabolite 19605
            alkaloid 5700
              piperidine alkaloid 92
                himbacine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic group 18937
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18872
                                    carbonyl compound 18872
                                      carboxylic ester 15948
                                        lactone 11280
                                          gamma-lactone 6764
                                            himbacine 0
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