pannarin (CHEBI:144185)

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ChEBI Name	pannarin

ChEBI ID	CHEBI:144185

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C18H15ClO6

Net Charge

Average Mass

362.760

Monoisotopic Mass

362.05572

InChI

InChI=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

InChIKey

LVGKNESDSKGROR-UHFFFAOYSA-N

SMILES

ClC1=C(O)C(=C2OC=3C(=CC(=C(C3OC(C2=C1C)=O)C)OC)C)C(=O)[H]

Metabolite of Species	Details
Psoroma (NCBI:txid176449)	Isolated from several Psoroma species including dimorphum, pallidum, pulchrum and reticulatum. See: DOI
Sphaerophorus globosus (NCBI:txid40600)	See: PubMed

Roles Classification
Biological Role(s):	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. (via depsidones )

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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
pannarine	ChemIDplus

Registry Number	Type	Source
55609-84-2	CAS Registry Number	ChemIDplus

Last Modified

29 August 2019