baicalin

CHEBI:2981 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

The glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis. — 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:24302
Label unavailable CHEBI:38686
Label unavailable CHEBI:50018
Label unavailable CHEBI:63367

Chemical structure

Computed structure properties
Molecular formula	C21H18O11
Charge	0
Average mass	446.364 Da
Monoisotopic mass	446.08491 Da
Source	ChEBI
InChIKey	IKIIZLYTISPENI-ZFORQUDYSA-N

SMILES

O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1

Also called

5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl β-D-glucopyranosiduronic acid (EXACT_SYNONYM)— chebi
5,6,7-trihydroxyflavone 7-O-β-D-glucuronide (EXACT_SYNONYM)— chebi
5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid (EXACT_SYNONYM)— chebi
7-D-glucuronic acid-5,6-dihydroxyflavone (EXACT_SYNONYM)— chebi
Baicalin (EXACT_SYNONYM)— chebi
baicalein 7-O-glucuronide (EXACT_SYNONYM)— chebi
baicalein 7-glucuronide (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.

Drug registries

Identifiers that name a drug rather than a structure. One of these can cover a parent compound, its salts and its stereoisomers, which this corpus keeps as separate records, so it is not an equivalence of structure.

drugcentral:4055

Patents and articles

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

Activity roles

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

anticoronaviral agent CHEBI:149553
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
CHEBI	`CHEBI:2981`	baicalin	`antibioticmech:chebi-7b4c2ae403`	2026-08-30

Mechanism summary

Mode of action: VIRAL_POLYMERASE_INHIBITION microbial target — Assigned from ChEBI role CHEBI:170010 (EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor). ChEBI asserts the role on the compound, but this mechanism belongs to an anti-viral activity while the record is filed as ANTIBACTERIAL. Either the compound has both activities, or the filing is wrong — the priority table has put azole antifungals under ANTIBACTERIAL before now. A curator should decide which. The role names a target specific to the microbe or virus — see mode_of_action_target_scope. Not a curator's mechanistic review.

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 2026-08-30 · 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).

Explore across X-Mech: MediaIngredientMech (baicalin) · CultureMech · NaturalProductMech · PathwayMech · TraitMech