danielone

CHEBI:4316 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

An aromatic ketone that is 2-hydroxy-1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. It is a phytoalexin isolated from the papaya fruit and 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:139590 CHEBI:139590
CHEBI:15734 CHEBI:15734
CHEBI:33853 CHEBI:33853
CHEBI:51681 CHEBI:51681
CHEBI:76224 CHEBI:76224

Chemical structure

Computed structure properties
Molecular formula	C10H12O5
Charge	0
Average mass	212.201 Da
Monoisotopic mass	212.06847 Da
Source	ChEBI
InChIKey	ZTBAPEIDNUHRNC-UHFFFAOYSA-N

SMILES

COc1cc(C(=O)CO)cc(OC)c1O

InChI

InChI=1S/C10H12O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,11,13H,5H2,1-2H3

Also called

2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone (EXACT_SYNONYM)— chebi
2,4'-dihydroxy-3',5'-dimethoxyacetophenone (EXACT_SYNONYM)— chebi
3',5'-dimethoxy-4'-hydroxy-(2-hydroxy)acetophenone (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:90426-22-5
hmdb:HMDB0031704
kegg.compound:C10674
knapsack:C00002692
reaxys:3096770
wikipedia.en:Danielone

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:4316`	danielone	`antibioticmech:chebi-040df81331`	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.