β-thujaplicin

CHEBI:10447 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. — 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:25409 CHEBI:25409
CHEBI:33823 CHEBI:33823
CHEBI:3992 CHEBI:3992

Chemical structure

Computed structure properties
Molecular formula	C10H12O2
Charge	0
Average mass	164.204 Da
Monoisotopic mass	164.08373 Da
Source	ChEBI
InChIKey	FUWUEFKEXZQKKA-UHFFFAOYSA-N

SMILES

CC(C)c1cccc(=O)c(O)c1

InChI

InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)

Also called

2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one (EXACT_SYNONYM)— chebi
2-hydroxy-4-isopropyl-cyclohepta2,4,6-trien-1-one (EXACT_SYNONYM)— chebi
4-Isopropyltropolone (EXACT_SYNONYM)— chebi
Hinokitiol (EXACT_SYNONYM)— chebi
beta-Thujaplicin (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:499-44-5
hmdb:HMDB0035213
kegg.compound:C09904
kegg.drug:D04876
knapsack:C00003062
lincs.smallmolecule:LSM-2835
reaxys:2045206
wikipedia.en:Hinokitiol

Activity roles

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

CHEBI:33282 CHEBI:33282
CHEBI:35718 CHEBI:35718
CHEBI:64915 CHEBI:64915

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:10447`	β-thujaplicin	`antibioticmech:chebi-debb9a16e8`	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.