NK372135C

CHEBI:66633 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A dinitrile that is butanedinitrile substituted by 3-hydroxy-4-methoxybenzylidene and 4-methoxybenzyl groups at positions 2 and 3 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity. — 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:134251 CHEBI:134251
CHEBI:51308 CHEBI:51308

Chemical structure

Computed structure properties
Molecular formula	C20H18N2O3
Charge	0
Average mass	334.375 Da
Monoisotopic mass	334.13174 Da
Source	ChEBI
InChIKey	OSJAZSFVURTOLX-LICLKQGHSA-N

SMILES

COc1ccc(CC(C#N)/C(C#N)=C/c2ccc(OC)c(O)c2)cc1

InChI

InChI=1S/C20H18N2O3/c1-24-18-6-3-14(4-7-18)9-16(12-21)17(13-22)10-15-5-8-20(25-2)19(23)11-15/h3-8,10-11,16,23H,9H2,1-2H3/b17-10+

Also called

(2Z)-2-(3-hydroxy-4-methoxybenzylidene)-3-(4-methoxybenzyl)butanedinitrile (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:7145038

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:66633`	NK372135C	`antibioticmech:chebi-3955846b4c`	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.