loading...| Preferred Name |
burchellin |
| Synonyms |
(2S,3S,3aR)-2-(2H-1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-3,3a-dihydro-1-benzofuran-6(2H)-one |
| Definitions |
A neolignan with formula C20H20O5 that is isolated from Ocotea cymbarum and Piper wallichii. It is active against a variety of parasites including T. cruzi, the vector for Chagas disease. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_132650 |
| charge |
0 |
| database_cross_reference |
Reaxys:1355484 PMID:9951960 PMID:11130672 PMID:19944690 PMID:11002977 PMID:20394289 KNApSAcK:C00041404 CAS:38276-59-4 PMID:15302525 PMID:17904765 PMID:24713267 PMID:11449462 PMID:11570558 |
| definition |
A neolignan with formula C20H20O5 that is isolated from Ocotea cymbarum and Piper wallichii. It is active against a variety of parasites including T. cruzi, the vector for Chagas disease. |
| formula |
C20H20O5 |
| has role |
http://purl.obolibrary.org/obo/CHEBI_22583 |
| has_exact_synonym |
(2S,3S,3aR)-2-(2H-1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-3,3a-dihydro-1-benzofuran-6(2H)-one |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:132650 |
| in_subset | |
| inchi |
InChI=1S/C20H20O5/c1-4-7-20-10-17(22-3)14(21)9-18(20)25-19(12(20)2)13-5-6-15-16(8-13)24-11-23-15/h4-6,8-10,12,19H,1,7,11H2,2-3H3/t12-,19+,20+/m1/s1 |
| inchikey |
SOLJFAQVSWXZEQ-CFGAKRJMSA-N |
| label |
burchellin |
| mass |
340.371 |
| monoisotopicmass |
340.13107 |
| notation |
CHEBI:132650 |
| prefLabel |
burchellin |
| smiles |
O1[C@@H]([C@H]([C@]2(C1=CC(=O)C(OC)=C2)CC=C)C)C3=CC=4OCOC4C=C3 |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_3992 http://purl.obolibrary.org/obo/CHEBI_36820 http://purl.obolibrary.org/obo/CHEBI_38830 http://purl.obolibrary.org/obo/CHEBI_25497 http://purl.obolibrary.org/obo/CHEBI_78840 http://purl.obolibrary.org/obo/CHEBI_47985 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_3992 http://purl.obolibrary.org/obo/CHEBI_36820 http://purl.obolibrary.org/obo/CHEBI_38830 http://purl.obolibrary.org/obo/CHEBI_25497 http://purl.obolibrary.org/obo/CHEBI_78840 http://purl.obolibrary.org/obo/CHEBI_47985 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C053585 | Medical Subject Headings / 医学主题词表 | LOOM |