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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:safrole
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Accession:CHEBI:8994 term browser browse the term
Definition:A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive.
Synonyms:exact_synonym: 5-allyl-1,3-benzodioxole
 related_synonym: 1,2-methylenedioxy-4-allylbenzene;   1-allyl-3,4-methylenedioxybenzene;   3,4-(methylenedioxy)allylbenzene;   3-(3,4-methylenedioxyphenyl)prop-1-ene;   4-allyl-1,2-methylenedioxybenzene;   4-allylpyrocatechol formaldehyde acetal;   5-(2-propenyl)-1,3-benzodioxole;   5-allyl-benzo[1,3]dioxole;   Formula=C10H10O2;   InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2;   InChIKey=ZMQAAUBTXCXRIC-UHFFFAOYSA-N;   SMILES=C=CCc1ccc2OCOc2c1;   allylcatechol methylene ether;   m-allylpyrocatechin methylene ether;   safrol;   shikimol;   shikimole
 xref: CAS:94-59-7;   HMDB:HMDB0033591;   KEGG:C10490;   KNApSAcK:C00002771
 xref_mesh: MESH:D012451
 xref: PMID:14422;   PMID:15334724;   PMID:19656034;   PMID:21089955;   PMID:21173435;   PMID:21591240;   PMID:21863093;   PMID:23112005;   PMID:24150866;   PMID:6191767;   PMID:7030889;   PMID:7806308;   Reaxys:136380;   Wikipedia:Safrole



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safrole term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Apaf1 apoptotic peptidase activating factor 1 increases expression ISO Safrole results in increased expression of APAF1 protein CTD PMID:21591240 NCBI chr 7:25,494,143...25,579,540
Ensembl chr 7:25,494,609...25,579,540
JBrowse link
G Bax BCL2 associated X, apoptosis regulator increases expression ISO Safrole results in increased expression of BAX protein CTD PMID:21591240 NCBI chr 1:95,940,001...95,945,407
Ensembl chr 1:95,938,808...95,945,368
JBrowse link
G Bcl2 BCL2, apoptosis regulator decreases expression ISO Safrole results in decreased expression of BCL2 protein CTD PMID:21591240 NCBI chr13:22,689,783...22,853,920 JBrowse link
G Bid BH3 interacting domain death agonist increases expression ISO Safrole results in increased expression of BID protein CTD PMID:21591240 NCBI chr 4:154,113,198...154,136,353
Ensembl chr 4:154,113,198...154,134,720
JBrowse link
G Casp3 caspase 3 increases activity
increases expression
ISO Safrole results in increased activity of CASP3 protein
Safrole results in increased expression of CASP3 mRNA
CTD PMID:21591240 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
JBrowse link
G Casp8 caspase 8 increases expression ISO Safrole results in increased expression of CASP8 mRNA CTD PMID:21591240 NCBI chr 9:60,263,863...60,312,542
Ensembl chr 9:60,264,075...60,312,542
JBrowse link
G Casp9 caspase 9 increases expression
increases activity
ISO Safrole results in increased expression of CASP9 mRNA
Safrole results in increased activity of CASP9 protein
CTD PMID:21591240 NCBI chr 5:154,108,872...154,126,628
Ensembl chr 5:154,109,046...154,126,626
JBrowse link
G Cycs cytochrome c, somatic affects localization ISO Safrole affects the localization of CYCS protein CTD PMID:21591240 NCBI chr 4:79,651,894...79,653,994
Ensembl chr 4:79,651,378...79,654,054
JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 decreases activity
increases expression
ISO Safrole results in decreased activity of CYP1A2 protein
Safrole results in increased expression of CYP1A2 mRNA
CTD PMID:8722114 PMID:15778010 NCBI chr 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312
JBrowse link
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 multiple interactions
decreases activity
increases metabolic processing
ISO [CYP2D6 protein results in increased metabolism of Safrole] which results in increased abundance of 1'-hydroxysafrole
Safrole results in decreased activity of CYP2D6 protein
CTD PMID:15778010 PMID:20507880 NCBI chr 7:113,882,584...113,891,754
Ensembl chr 7:113,881,618...113,891,759
JBrowse link
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 decreases activity ISO Safrole results in decreased activity of CYP2E1 protein CTD PMID:15778010 NCBI chr 1:195,840,330...195,850,728
Ensembl chr 1:195,840,058...195,864,023
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 decreases activity ISO Safrole results in decreased activity of CYP3A4 protein CTD PMID:15778010 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19823
    role 19773
      application 19486
        pesticide 17133
          insecticide 15165
            safrole 12
Path 2
Term Annotations click to browse term
  CHEBI ontology 19823
    subatomic particle 19821
      composite particle 19821
        hadron 19821
          baryon 19821
            nucleon 19821
              atomic nucleus 19821
                atom 19821
                  main group element atom 19720
                    p-block element atom 19720
                      carbon group element atom 19643
                        carbon atom 19633
                          organic molecular entity 19633
                            organic molecule 19572
                              organic cyclic compound 19366
                                organic heterocyclic compound 18604
                                  organic heteropolycyclic compound 18067
                                    organic heterobicyclic compound 16872
                                      benzodioxoles 7850
                                        safrole 12
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