probenazole

CHEBI:81778 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A member of the class of 1,2-benzothiazoles that is 1,2-benzothiazole 1,1-dioxide substituted at position 3 by an allyloxy group. A fungicide used to control rice blast. — 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:35618 CHEBI:35618
CHEBI:35850 CHEBI:35850
CHEBI:55505 CHEBI:55505
CHEBI:87038 CHEBI:87038

Chemical structure

Computed structure properties
Molecular formula	C10H9NO3S
Charge	0
Average mass	223.253 Da
Monoisotopic mass	223.03031 Da
Source	ChEBI
InChIKey	WHHIPMZEDGBUCC-UHFFFAOYSA-N

SMILES

C=CCOC1=NS(=O)(=O)c2ccccc21

InChI

InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2

Also called

3-(allyloxy)-1,2-benzothiazole 1,1-dioxide (EXACT_SYNONYM)— chebi
3-(2-Propenyloxy)-1,2-benzisothiazole 1,1-dioxide (EXACT_SYNONYM)— chebi
3-(2-propen-1-yloxy)-1,2-benzisothiazole 1,1-dioxide (EXACT_SYNONYM)— chebi
3-allyloxy-1,2-benz[d]isothiazole 1,1-dioxide (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:27605-76-1
kegg.compound:C18483
patent:CN101822265
patent:CN101828561
pesticides:probenazole
ppdb:2928
reaxys:1214464

Activity roles

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

CHEBI:24127 CHEBI:24127
CHEBI:86328 CHEBI:86328

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:81778`	probenazole	`antibioticmech:chebi-39f7c1e523`	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.