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CHEBI:144185 - pannarin

Default Structure
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
Psoroma (ncbitaxon:176449) - DOI (/10.1021/np50041a036) Isolated from several Psoroma species including dimorphum, pallidum, pulchrum and reticulatum.
Sphaerophorus globosus (ncbitaxon:40600) - PubMed (18721817)
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).
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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