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.

Label unavailable CHEBI:139590
Label unavailable CHEBI:15734
Label unavailable CHEBI:33853
Label unavailable CHEBI:51681
Label unavailable 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

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

Patents and articles

Documents about this compound. A patent covers a class and an article covers a topic; neither identifies a structure.

wikipedia.en:Danielone

Activity roles

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

antifungal agent 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
RESEEDED_FROM_SOURCES 2026-09-10 · 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 (YAML).

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