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CHEBI:144185 - pannarin

ChEBI IDCHEBI:144185
ChEBI Namepannarin
Stars
DefinitionA member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by methyl groups at positions 1,6 and 9, chloro group at position 2, hydroxy group at position 3, formyl group at position 4, methoxy group at position 8 and an oxo group at position 11. It is a lichen metabolite isolated from several Psoroma species.
Last Modified29 August 2019
Submittermwilliams
DownloadsMolfile
FormulaC18H15ClO6
Net Charge0
Average Mass362.765
Monoisotopic Mass362.05572
SMILES[H]C(=O)c1c(O)c(Cl)c(C)c2c1Oc1c(C)cc(OC)c(C)c1OC2=O
InChIInChI=1S/C18H15ClO6/c1-7-5-11(23-4)8(2)16-15(7)24-17-10(6-20)14(21)13(19)9(3)12(17)18(22)25-16/h5-6,21H,1-4H3
InChIKeyLVGKNESDSKGROR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sphaerophorus globosus (ncbitaxon:40600) - PubMed (18721817)
Psoroma (ncbitaxon:176449) - DOI (/10.1021/np50041a036) Isolated from several Psoroma species including dimorphum, pallidum, pulchrum and reticulatum.
Roles Classification
Biological Roles:
lichen metabolite  Any metabolite that is produced during a metabolite reaction in lichens (composite organisms consisting of a fungus and a photosynthetic partner co-existing in a symbiotic relationship).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
pannarin (CHEBI:144185) has role antimicrobial agent (CHEBI:33281)
pannarin (CHEBI:144185) has role antineoplastic agent (CHEBI:35610)
pannarin (CHEBI:144185) has role apoptosis inducer (CHEBI:68495)
pannarin (CHEBI:144185) has role lichen metabolite (CHEBI:78361)
pannarin (CHEBI:144185) is a aldehyde (CHEBI:17478)
pannarin (CHEBI:144185) is a aromatic ether (CHEBI:35618)
pannarin (CHEBI:144185) is a depsidones (CHEBI:75939)
pannarin (CHEBI:144185) is a organic heterotricyclic compound (CHEBI:26979)
pannarin (CHEBI:144185) is a organochlorine compound (CHEBI:36683)
pannarin (CHEBI:144185) is a phenols (CHEBI:33853)
IUPAC Name 
2-chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
Synonym  Source
pannarineChemIDplus
Registry NumbersSources
CAS:55609-84-2ChemIDplus
Citations