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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:mollicellin J
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Accession:CHEBI:68723 term browser browse the term
Definition:A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a chloro group at position 2, hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense it exhibits cytotoxic activity.
Synonyms:exact_synonym: 2-chloro-3,7-dihydroxy-1,9-dimethyl-8-(3-methylbut-2-en-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
 related_synonym: Formula=C21H19ClO6;   InChI=1S/C21H19ClO6/c1-9(2)5-6-12-10(3)19-15(7-14(12)24)27-20-13(8-23)18(25)17(22)11(4)16(20)21(26)28-19/h5,7-8,24-25H,6H2,1-4H3;   InChIKey=NKSQSZYYPUIJDD-UHFFFAOYSA-N;   SMILES=CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)c(Cl)c(C)c3C(=O)Oc2c1C
 xref: Chemspider:24660781;   PMID:19663417;   Reaxys:15754562


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  CHEBI ontology 5052
    role 5044
      application 863
        pharmaceutical 723
          drug 713
            antineoplastic agent 179
              mollicellin J 0
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  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbon oxoacid 368
                                    carboxylic acid 364
                                      carboacyl group 209
                                        univalent carboacyl group 209
                                          formyl group 15
                                            aldehyde 15
                                              mollicellin J 0
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