tschimganine

CHEBI:142517 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

A benzoate ester resulting from the formal condensation of the carboxy group of vanillic acid with the hydroxy group of (−)-borneol. A metabolite isolated from Ferula dissecta. — 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:25235 CHEBI:25235
CHEBI:25409 CHEBI:25409
CHEBI:33853 CHEBI:33853
CHEBI:36054 CHEBI:36054
CHEBI:36785 CHEBI:36785

Chemical structure

Computed structure properties
Molecular formula	C18H24O4
Charge	0
Average mass	304.386 Da
Monoisotopic mass	304.16746 Da
Source	ChEBI
InChIKey	KTOAGBIQQPGNIR-WBHUJUFNSA-N

SMILES

[H][C@]12CC[C@](C)([C@H](OC(=O)c3ccc(O)c(OC)c3)C1)C2(C)C

InChI

InChI=1S/C18H24O4/c1-17(2)12-7-8-18(17,3)15(10-12)22-16(20)11-5-6-13(19)14(9-11)21-4/h5-6,9,12,15,19H,7-8,10H2,1-4H3/t12-,15+,18+/m0/s1

Also called

(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate (EXACT_SYNONYM)— chebi
chimganin (EXACT_SYNONYM)— chebi
tschimganin (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:26876325

Activity roles

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

CHEBI:33281 CHEBI:33281

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:142517`	tschimganine	`antibioticmech:chebi-ab89f93ca9`	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.