3,15-di-O-acetylbruceolide

CHEBI:65532 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A quassinoid that is the 3,15-di-O-acetyl derivative of bruceolide. It has been isolated from Brucea javanica and Brucea sumatrana. — 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:18946
Label unavailable CHEBI:23824
Label unavailable CHEBI:25248
Label unavailable CHEBI:33823
Label unavailable CHEBI:37407
Label unavailable CHEBI:38164
Label unavailable CHEBI:47622
Label unavailable CHEBI:51689
Label unavailable CHEBI:72485

Chemical structure

Computed structure properties
Molecular formula	C25H30O12
Charge	0
Average mass	522.503 Da
Monoisotopic mass	522.17373 Da
Source	ChEBI
InChIKey	ZDBJNNBVIRSCJN-LFVFYYESSA-N

SMILES

[H][C@]12[C@@H](O)[C@H](O)[C@]3(C(=O)OC)OC[C@]14[C@@]3([H])[C@@H](OC(C)=O)C(=O)O[C@]4([H])C[C@@]1([H])C(C)=C(OC(C)=O)C(=O)C[C@]21C

InChI

InChI=1S/C25H30O12/c1-9-12-6-14-24-8-34-25(22(32)33-5,19(24)17(21(31)37-14)36-11(3)27)20(30)15(29)18(24)23(12,4)7-13(28)16(9)35-10(2)26/h12,14-15,17-20,29-30H,6-8H2,1-5H3/t12-,14+,15+,17+,18+,19+,20-,23-,24+,25+/m0/s1

Also called

methyl (11β,12α,15β)-3,15-bis(acetyloxy)-11,12-dihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate (EXACT_SYNONYM)— chebi

Activity roles

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

antimalarial CHEBI:38068

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:65532`	3,15-di-O-acetylbruceolide	`antibioticmech:chebi-32fed36ffe`	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 (YAML).

Explore across X-Mech: MediaIngredientMech (3,15-di-O-acetylbruceolide) · CultureMech · NaturalProductMech · PathwayMech · TraitMech