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.

CHEBI:33573 CHEBI:33573
CHEBI:33853 CHEBI:33853
CHEBI:3992 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

Equivalent identifiers for this same structure in other resources.

beilstein:1978265
cas:569-77-7
kegg.compound:C09964
knapsack:C00003013
lincs.smallmolecule:LSM-37040
patent:US2770545

Activity roles

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

CHEBI:33282 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

Provenance

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