combretol

CHEBI:70005 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A pentamethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 7, 3', 4' and 5' have been replaced by methoxy groups. It has been isolated from Combretum quadrangulare. — 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:38687 CHEBI:38687
CHEBI:38724 CHEBI:38724

Chemical structure

Computed structure properties
Molecular formula	C20H20O8
Charge	0
Average mass	388.372 Da
Monoisotopic mass	388.11582 Da
Source	ChEBI
InChIKey	SUNUQCQIFHHEOW-UHFFFAOYSA-N

SMILES

COc1cc(O)c2c(=O)c(OC)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1

InChI

InChI=1S/C20H20O8/c1-23-11-8-12(21)16-13(9-11)28-18(20(27-5)17(16)22)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-9,21H,1-5H3

Also called

5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one (EXACT_SYNONYM)— chebi
5-hydroxy-3,3',4',5',7-pentamethoxyflavone (EXACT_SYNONYM)— chebi
myricetin-3,7,3',4',5'-pentamethylether (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

lipidmaps:LMPK12112794
reaxys:357241
wikipedia.en:Combretol

Activity roles

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

CHEBI:70868 CHEBI:70868

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:70005`	combretol	`antibioticmech:chebi-da898afc0c`	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.