α-santonin

CHEBI:16363 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A santonin that is 3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione substituted by methyl groups at positions 3, 5a and 9. — 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:26604 CHEBI:26604
CHEBI:86494 CHEBI:86494

Chemical structure

Computed structure properties
Molecular formula	C15H18O3
Charge	0
Average mass	246.306 Da
Monoisotopic mass	246.12559 Da
Source	ChEBI
InChIKey	XJHDMGJURBVLLE-BOCCBSBMSA-N

SMILES

[H][C@@]12CC[C@@]3(C)C=CC(=O)C(C)=C3[C@@]1([H])OC(=O)[C@H]2C

InChI

InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1

Also called

(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione (EXACT_SYNONYM)— chebi
(11S)-6α-hydroxy-3-oxoeudesma-1,4-dien-12-oic acid γ-lactone (EXACT_SYNONYM)— chebi
(−)-Santonin (EXACT_SYNONYM)— chebi
(−)-α-Santonin (EXACT_SYNONYM)— chebi
6α-hydroxy-3-oxo-11-epiisoeusantona-1,4-dienic acid γ-lactone (EXACT_SYNONYM)— chebi
Santoninic anhydride (EXACT_SYNONYM)— chebi
alpha-Santonin (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:481-06-1
kegg.compound:C02206
kegg.drug:D00154
knapsack:C00003364
lincs.smallmolecule:LSM-6627
lipidmaps:LMPR0103190001
metacyc.compound:ALPHA-SANTONIN
reaxys:89489
wikipedia.en:Santonin

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:16363`	α-santonin	`antibioticmech:chebi-f84df6f0ed`	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.