purpurogallin

CHEBI:8647 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A cyclic ketone that is 5H-benzocycloheptene bearing an oxo group at position 5 and hydroxy groups at positions 2, 3, 4 and 6. — 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.

Label unavailable CHEBI:33573
Label unavailable CHEBI:33853
Label unavailable CHEBI:3992

Chemical structure

Computed structure properties
Molecular formula	C11H8O5
Charge	0
Average mass	220.18 Da
Monoisotopic mass	220.03717 Da
Source	ChEBI
InChIKey	WDGFFVCWBZVLCE-UHFFFAOYSA-N

SMILES

O=c1c(O)cccc2cc(O)c(O)c(O)c12

InChI

InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)

Also called

2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one (EXACT_SYNONYM)— chebi
2,3,4,6-tetrahydroxy-5H-benzocycloheptene-5-one (EXACT_SYNONYM)— chebi
2,3,4,6-tetrahydroxybenzocyclohepten-5-one (EXACT_SYNONYM)— chebi
Purpurogallin (EXACT_SYNONYM)— chebi
purpurogalline (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

Patents and articles

Documents about this compound. A patent covers a class and an article covers a topic; neither identifies a structure.

patent:US2770545

Activity roles

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

antibacterial agent CHEBI:33282

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:8647`	purpurogallin	`antibioticmech:chebi-0bd3591ea3`	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
RESEEDED_FROM_SOURCES 2026-09-10 · 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 (YAML).

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