loading...| Preferred Name |
acroptilin |
| Synonyms |
Chlorohyssopifolin C (3aR,4S,6aR,8S,9S,9aS,9bS)-8-hydroxy-3,6-bis(methylidene)-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2S)-3-chloro-2-hydroxy-2-methylpropanoate Acroptilin |
| Definitions |
A sesquiterpene lactone that is isolated from Acroptilon repens and displays anti-allergic properties. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_2439 |
| charge |
0 |
| database_cross_reference |
KNApSAcK:C00003206 CAS:41787-75-1 KEGG:C09288 |
| definition |
A sesquiterpene lactone that is isolated from Acroptilon repens and displays anti-allergic properties. |
| formula |
C19H23ClO7 |
| has role | |
| has_exact_synonym |
(3aR,4S,6aR,8S,9S,9aS,9bS)-8-hydroxy-3,6-bis(methylidene)-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2S)-3-chloro-2-hydroxy-2-methylpropanoate Acroptilin |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
Chlorohyssopifolin C |
| id |
CHEBI:2439 |
| in_subset | |
| inchi |
InChI=1S/C19H23ClO7/c1-8-4-11(26-17(23)18(3,24)6-20)13-9(2)16(22)27-15(13)14-10(8)5-12(21)19(14)7-25-19/h10-15,21,24H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15-,18+,19-/m0/s1 |
| inchikey |
RFRUYYQMUJRBAN-LKUPFZQBSA-N |
| label |
acroptilin |
| mass |
398.83442 |
| monoisotopicmass |
398.11323 |
| notation |
CHEBI:2439 |
| prefLabel |
acroptilin |
| smiles |
[H][C@@]12C[C@H](O)[C@@]3(CO3)[C@]1([H])[C@@]1([H])OC(=O)C(=C)[C@]1([H])[C@H](CC2=C)OC(=O)[C@](C)(O)CCl |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_36683 http://purl.obolibrary.org/obo/CHEBI_37667 http://purl.obolibrary.org/obo/CHEBI_38163 http://purl.obolibrary.org/obo/CHEBI_78840 http://purl.obolibrary.org/obo/CHEBI_39433 http://purl.obolibrary.org/obo/CHEBI_35681 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_36683 http://purl.obolibrary.org/obo/CHEBI_37667 http://purl.obolibrary.org/obo/CHEBI_38163 http://purl.obolibrary.org/obo/CHEBI_78840 http://purl.obolibrary.org/obo/CHEBI_39433 http://purl.obolibrary.org/obo/CHEBI_35681 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| There are currently no mappings for this class. | |||