loading...| Preferred Name |
safrole |
|
| Synonyms |
5-allyl-1,3-benzodioxole 4-allyl-1,2-methylenedioxybenzene 5-(2-propenyl)-1,3-benzodioxole shikimole allylcatechol methylene ether m-allylpyrocatechin methylene ether shikimol 4-allylpyrocatechol formaldehyde acetal 3-(3,4-methylenedioxyphenyl)prop-1-ene 1-allyl-3,4-methylenedioxybenzene 5-allyl-benzo[1,3]dioxole safrol 3,4-(methylenedioxy)allylbenzene 1,2-methylenedioxy-4-allylbenzene |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8994 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:21089955 PMID:15334724 Reaxys:136380 PMID:21591240 PMID:24150866 CAS:94-59-7 HMDB:HMDB0033591 PMID:21173435 PMID:14422 KEGG:C10490 KNApSAcK:C00002771 PMID:7806308 Wikipedia:Safrole PMID:7030889 PMID:6191767 PMID:23112005 PMID:19656034 PMID:21863093 |
|
| 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. |
|
| formula |
C10H10O2 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_24852 http://purl.obolibrary.org/obo/CHEBI_76924 |
|
| has_exact_synonym |
5-allyl-1,3-benzodioxole |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
4-allyl-1,2-methylenedioxybenzene 5-(2-propenyl)-1,3-benzodioxole shikimole allylcatechol methylene ether m-allylpyrocatechin methylene ether shikimol 4-allylpyrocatechol formaldehyde acetal 3-(3,4-methylenedioxyphenyl)prop-1-ene 1-allyl-3,4-methylenedioxybenzene 5-allyl-benzo[1,3]dioxole safrol 3,4-(methylenedioxy)allylbenzene 1,2-methylenedioxy-4-allylbenzene |
|
| id |
CHEBI:8994 |
|
| in_subset | ||
| inchi |
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 |
|
| label |
safrole |
|
| mass |
162.18520 |
|
| monoisotopicmass |
162.06808 |
|
| notation |
CHEBI:8994 |
|
| prefLabel |
safrole |
|
| smiles |
C=CCc1ccc2OCOc2c1 |
|
| treeView | ||
| subClassOf |