1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione

CHEBI:70402 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A member of the class of pyrroles that is 2,3-dihydro-1H-pyrrole substituted by a 2-methyl-3-oxodecanoyl group at the nitrogen atom. Isolated from Penicillium citrinum and Penicillium brevicompactum, it exhibits antifungal activity. — 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:17087
Label unavailable CHEBI:26455
Label unavailable CHEBI:29347

Chemical structure

Computed structure properties
Molecular formula	C15H25NO2
Charge	0
Average mass	251.37 Da
Monoisotopic mass	251.18853 Da
Source	ChEBI
InChIKey	HMWIYUSLKIYYER-UHFFFAOYSA-N

SMILES

CCCCCCCC(=O)C(C)C(=O)N1C=CCC1

InChI

InChI=1S/C15H25NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h8,11,13H,3-7,9-10,12H2,1-2H3

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.

reaxys:8211286

Activity roles

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

antifungal agent CHEBI:35718

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:70402`	1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione	`antibioticmech:chebi-bf4bca78cd`	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).

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