isoalantolactone

CHEBI:5981 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A sesquiterpene lactone of the eudesmanolide group. It has been isolated from Inula helenium. — 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:37667 CHEBI:37667
CHEBI:62508 CHEBI:62508

Chemical structure

Computed structure properties
Molecular formula	C15H20O2
Charge	0
Average mass	232.323 Da
Monoisotopic mass	232.14633 Da
Source	ChEBI
InChIKey	CVUANYCQTOGILD-QVHKTLOISA-N

SMILES

[H][C@@]12C[C@@]3(C)CCCC(=C)[C@]3([H])C[C@]1([H])C(=C)C(=O)O2

InChI

InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1

Also called

(3aR,4aS,8aR,9aR)-8a-methyl-3,5-bis(methylidene)decahydronaphtho[2,3-b]furan-2(3H)-one (EXACT_SYNONYM)— chebi
eudesma-4(14),11(13)-dieno-12,8β-olactone (EXACT_SYNONYM)— chebi
8β-hydroxyeudesma-4(14),11(13)-dien-12-oic acid γ-lactone (EXACT_SYNONYM)— chebi
Isoalantolactone (EXACT_SYNONYM)— chebi
iso-alantolacton (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:470-17-7
hmdb:HMDB0035934
kegg.compound:C09484
knapsack:C00003306
reaxys:13402

Activity roles

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

CHEBI:35718 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:5981`	isoalantolactone	`antibioticmech:chebi-52268f31ac`	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.