Isoorientin

antibioticmech:curator-35c6404d6e ·ANTIBACTERIAL ·MINTED PROPOSED

A flavonoid with antibacterial activity against drug-resistant bacterial pathogens. — DOI:10.1128/spectrum.02374-25

Chemical structure

Computed structure properties
Molecular formula	C21H20O11
Charge	0
Average mass	448.4 Da
Monoisotopic mass	448.10056145 Da
Source	https://pubchem.ncbi.nlm.nih.gov/compound/114776 · retrieved 2026-09-07
InChIKey	ODBRNZZJSYPIDI-VJXVFPJBSA-N

SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

InChI

InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1

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.

pubchem.compound:114776

Activity roles

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

antibacterial agent CHEBI:33282

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	Evidence
CURATOR	`DOI:10.1128/spectrum.02374-25#isoorientin`	Isoorientin	`antibioticmech:curator-35c6404d6e`	2026-09-07	DOI:10.1128/spectrum.02374-25 — "Zai et al. reported isoorientin among six Terminalia flavonoids that inhibited growth of both methicillin- and beta-lactam-resistant bacterial pathogens." (PubChem CID 114776 supplies the standard InChI, InChIKey, formula, and isomeric SMILES for isoorientin.)

Curation history

PROPOSED_FROM_CURATOR_INVENTORY 2026-09-08 · seed_from_sources
Proposed from curation/curator_antibiotics.tsv

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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