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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:rotenone
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Accession:CHEBI:28201 term browser browse the term
Definition:A member of the class of rotenones that consists of 1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one substituted at position 2 by a prop-1-en-2-yl group and at positions 8 and 9 by methoxy groups (the 2R,6aS,12aS-isomer). A non-systemic insecticide, it is the principal insecticidal constituent of derris (the dried rhizome and root of Derris elliptica).
Synonyms:exact_synonym: (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one
 related_synonym: (-)-cis-rotenone;   (12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one;   5'beta-rotenone;   Barbasco;   Canex;   Derris;   Formula=C23H22O6;   InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1;   InChIKey=JUVIOZPCNVVQFO-HBGVWJBISA-N;   Noxfire;   SMILES=[H][C@@]1(CC2=C3O[C@]4([H])COC5=C(C=C(OC)C(OC)=C5)[C@]4([H])C(=O)C3=CC=C2O1)C(C)=C;   [2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one;   dactinol;   paraderil;   tubatoxin
 alt_id: CHEBI:26583;   CHEBI:8897
 xref: BPDB:587;   Beilstein:99070;   CAS:83-79-4;   DrugBank:DB11457;   FooDB:FDB012837;   HMDB:HMDB0034436;   KEGG:C07593;   KNApSAcK:C00002568;   LINCS:LSM-5260;   LIPID_MAPS_instance:LMPK12060007
 xref_mesh: MESH:D012402
 xref: PDBeChem:970;   PMID:14976342;   PMID:15043430;   PMID:15790535;   PMID:17077549;   PMID:19013527;   PMID:32972993;   PMID:33402167;   PMID:33901458;   PMID:33961406;   Patent:CN102007944;   Patent:CN102090406;   Reaxys:99070;   VSDB:587;   Wikipedia:Rotenone


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      CHEBI ontology 22194
        role 22179
          application 21760
            pesticide 18849
              piscicide 4877
                rotenone 4230
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      CHEBI ontology 22194
        subatomic particle 22186
          composite particle 22186
            hadron 22186
              baryon 22186
                nucleon 22186
                  atomic nucleus 22186
                    atom 22186
                      main group element atom 22120
                        p-block element atom 22120
                          carbon group element atom 21920
                            carbon atom 21846
                              organic molecular entity 21846
                                organic molecule 21662
                                  organic cyclic compound 21269
                                    organic heterocyclic compound 20342
                                      organic heteropolycyclic compound 19635
                                        chromenochromene 4457
                                          tetrahydrochromenochromene 4457
                                            rotenoid 4457
                                              rotenones 4457
                                                rotenone 4230
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