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The Drug Ontology
Last uploaded:
December 20, 2024
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| Preferred Name | cantharidin | |
| Synonyms |
1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride Kantharidin exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride Cantharidine Cantharone (3aR,4S,7R,7aS)-3a,7a-dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione |
|
| Definitions |
A monoterpenoid with an epoxy-bridged cyclic dicarboxylic anhydride structure secreted by many species of blister beetle, and most notably by the Spanish fly, Lytta vesicatoria. Natural toxin inhibitor of protein phosphatases 1 and 2A. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_64213 |
|
| alternative label |
1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride Kantharidin exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride Cantharidine Cantharone (3aR,4S,7R,7aS)-3a,7a-dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione
|
|
| charge |
0
|
|
| database_cross_reference |
PMID:21595743 KEGG:C16778 Wikipedia:Cantharidin PMID:22001622 LINCS:LSM-42705 PMID:22402807 PMID:21668865 PMID:22351815 Reaxys:85302 PMID:21907641 PMID:22380659 CAS:56-25-7 KNApSAcK:C00010979 PMID:20594813 PMID:22233030 PMID:21930197
|
|
| definition |
A monoterpenoid with an epoxy-bridged cyclic dicarboxylic anhydride structure secreted by many species of blister beetle, and most notably by the Spanish fly, Lytta vesicatoria. Natural toxin inhibitor of protein phosphatases 1 and 2A.
|
|
| formula |
C10H12O4
|
|
| has characteristic | ||
| has role | ||
| has_exact_synonym |
(3aR,4S,7R,7aS)-3a,7a-dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride Kantharidin exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride Cantharidine Cantharone
|
|
| has_RxCUI |
1984
|
|
| id |
CHEBI:64213
|
|
| in_subset | ||
| inchi |
InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-
|
|
| inchikey |
DHZBEENLJMYSHQ-XCVPVQRUSA-N
|
|
| label |
cantharidin
|
|
| mass |
196.19990
|
|
| monoisotopicmass |
196.07356
|
|
| notation |
CHEBI:64213
|
|
| prefLabel |
cantharidin
|
|
| smiles |
C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O
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|
| subClassOf |
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