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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:rocaglamide
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Accession:CHEBI:66309 term browser browse the term
Definition:An organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity.
Synonyms:exact_synonym: (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxamide
 related_synonym: (-)-(1alpha,2alpha,3beta,3abeta,8bbeta)-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-1H-cyclopenta(b)benzofuran-2-carboxamide;   Formula=C29H31NO7;   InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1;   InChIKey=DAPAQENNNINUPW-IDAMAFBJSA-N;   SMILES=COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C
 xref: CAS:84573-16-0
 xref_mesh: MESH:C107772
 xref: PMID:20685036;   PMID:20706274;   PMID:21417924;   PMID:22283818;   Patent:US2009082371;   Reaxys:4219080


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rocaglamide term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bax BCL2 associated X, apoptosis regulator increases expression ISO rocaglamide results in increased expression of BAX protein CTD PMID:31433962 NCBI chr 1:101,451,801...101,457,207
Ensembl chr 1:101,451,802...101,457,207
JBrowse link
G Bcl2 BCL2, apoptosis regulator decreases expression ISO rocaglamide results in decreased expression of BCL2 protein CTD PMID:31433962 NCBI chr13:26,605,426...26,769,374
Ensembl chr13:26,605,426...26,769,374
JBrowse link
G Chuk component of inhibitor of nuclear factor kappa B kinase complex decreases expression ISO rocaglamide results in decreased expression of CHUK protein CTD PMID:31433962 NCBI chr 1:263,848,829...263,884,354
Ensembl chr 1:263,848,884...263,885,169
JBrowse link
G Cycs cytochrome c, somatic increases expression ISO rocaglamide results in increased expression of CYCS protein CTD PMID:31433962 NCBI chr 4:80,331,226...80,333,326
Ensembl chr 4:80,331,227...80,333,326
JBrowse link
G Ikbkb inhibitor of nuclear factor kappa B kinase subunit beta decreases expression ISO rocaglamide results in decreased expression of IKBKB protein CTD PMID:31433962 NCBI chr16:74,177,233...74,230,809
Ensembl chr16:74,177,215...74,230,815
JBrowse link
G Nfkb1 nuclear factor kappa B subunit 1 decreases expression ISO rocaglamide results in decreased expression of NFKB1 protein CTD PMID:31433962 NCBI chr 2:240,773,520...240,890,053
Ensembl chr 2:240,773,456...240,866,689
JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 decreases expression ISO rocaglamide results in decreased expression of PARP1 protein CTD PMID:31433962 NCBI chr13:98,857,255...98,889,444
Ensembl chr13:98,857,177...98,889,716
JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit decreases expression ISO rocaglamide results in decreased expression of RELA protein CTD PMID:31433962 NCBI chr 1:220,992,770...221,003,249
Ensembl chr 1:220,992,770...221,003,249
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      biological role 19732
        biochemical role 19281
          metabolite 19262
            rocaglamide 8
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
                                        carboacyl group 17346
                                          univalent carboacyl group 17346
                                            carbamoyl group 17132
                                              carboxamide 17132
                                                monocarboxylic acid amide 14551
                                                  rocaglamide 8
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