pannarin

CHEBI:144185 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

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. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:17478 CHEBI:17478
CHEBI:26979 CHEBI:26979
CHEBI:33853 CHEBI:33853
CHEBI:35618 CHEBI:35618
CHEBI:36683 CHEBI:36683
CHEBI:75939 CHEBI:75939

Chemical structure

Computed structure properties
Molecular formula	C18H15ClO6
Charge	0
Average mass	362.765 Da
Monoisotopic mass	362.05572 Da
Source	ChEBI
InChIKey	LVGKNESDSKGROR-UHFFFAOYSA-N

SMILES

[H]C(=O)c1c(O)c(Cl)c(C)c2c1Oc1c(C)cc(OC)c(C)c1OC2=O

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

Also called

2-chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde (EXACT_SYNONYM)— chebi
pannarine (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:55609-84-2

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:33281 CHEBI:33281

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:144185`	pannarin	`antibioticmech:chebi-f0a7068e02`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.