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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:Isosafrole
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Accession:CHEBI:6054 term browser browse the term
Definition:A benzodioxole that has formula C10H10O2.
Synonyms:related_synonym: Formula=C10H10O2;   InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+;   InChIKey=VHVOLFRBFDOUSH-NSCUHMNNSA-N;   SMILES=C\\C=C\\c1ccc2OCOc2c1
 xref: CAS:120-58-1;   KEGG:C10472;   KNApSAcK:C00002753
 xref_mesh: MESH:C015959


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Isosafrole 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 increases expression ISO isosafrole results in increased expression of ABCB1 protein CTD PMID:8632764 NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709 		JBrowse link
G Ahr aryl hydrocarbon receptor increases expression ISO isosafrole results in increased expression of AHR protein CTD PMID:8722114 NCBI chr 6:52,234,089...52,271,568
Ensembl chr 6:52,234,089...52,271,568 		JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 increases expression EXP isosafrole results in increased expression of CYP1A1 mRNA; isosafrole results in increased expression of CYP1A1 protein CTD PMID:11285323 NCBI chr 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125 		JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 multiple interactions
increases expression
decreases activity		 EXP
ISO		 isosafrole inhibits the reaction [CYP1A2 protein affects the metabolism of bromodichloromethane]
isosafrole results in increased expression of CYP1A2 mRNA
isosafrole results in decreased activity of CYP1A2 protein		 CTD PMID:8722114 PMID:11285323 PMID:12062927 NCBI chr 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312 		JBrowse link
G Cyp2b1 cytochrome P450, family 2, subfamily b, polypeptide 1 multiple interactions EXP isosafrole promotes the reaction [CYP2B1 protein results in increased oxidation of Thiotepa] CTD PMID:2105156 NCBI chr 1:81,518,387...81,544,999
Ensembl chr 1:81,518,408...81,542,052 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases expression ISO isosafrole results in increased expression of CYP3A4 protein CTD PMID:8632764 NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
G Gsta2 glutathione S-transferase alpha 2 increases expression EXP isosafrole results in increased expression of GSTA2 mRNA CTD PMID:1394205 NCBI chr 8:79,184,535...79,196,827
Ensembl chr 8:79,184,322...79,196,798 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    chemical entity 19836
      atom 19836
        nonmetal atom 19774
          oxygen atom 19518
            oxygen molecular entity 19518
              organooxygen compound 19168
                oxacycle 17889
                  benzodioxoles 8477
                    Isosafrole 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      carbon group element atom 19734
                        carbon atom 19731
                          organic molecular entity 19731
                            organic molecule 19684
                              organic cyclic compound 19496
                                organic heterocyclic compound 18874
                                  organic heteropolycyclic compound 18299
                                    organic heterobicyclic compound 17233
                                      benzodioxoles 8477
                                        Isosafrole 7
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