deoxyherqueinone(1−)

CHEBI:145874 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A phenolate anion obtained by deprotonation of the 4-hydroxy group of deoxyherqueinone. It is the major microspecies at pH 7.3. — 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:50525 CHEBI:50525

Chemical structure

Computed structure properties
Molecular formula	C20H19O6
Charge	-1
Average mass	355.366 Da
Monoisotopic mass	355.11871 Da
Source	ChEBI
InChIKey	VZWSSCQUCMSKLE-MRVPVSSYSA-M

SMILES

COC1=C([O-])c2c(O)cc(C)c3c4c(c(O)c(c23)C1=O)C(C)(C)[C@@H](C)O4

InChI

InChI=1S/C20H20O6/c1-7-6-9(21)11-12-10(7)18-14(20(3,4)8(2)26-18)15(22)13(12)17(24)19(25-5)16(11)23/h6,8,21-23H,1-5H3/p-1/t8-/m1/s1

Also called

(9R)-3,7-dihydroxy-5-methoxy-1,8,8,9-tetramethyl-6-oxo-8,9-dihydro-6H-phenaleno[1,2-b]furan-4-olate (EXACT_SYNONYM)— chebi
deoxyherqueinone (RELATED_SYNONYM)— chebi

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:145874`	deoxyherqueinone(1−)	`antibioticmech:chebi-00deeffdfe`	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.