AntibioticMech

cassiarin A

CHEBI:65596 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

An isoquinoline alkaloid that is pyrano[2,3,4-ij]isoquinoline substituted by a hydroxy group at position 8 and methyl groups at positions 2 and 5. It is isolated from the leaves of Cassia siamea and exhibits antiplasmodial activity against Plasmodium falciparum. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:24921 CHEBI:24921
• CHEBI:24922 CHEBI:24922
• CHEBI:26979 CHEBI:26979
• CHEBI:33853 CHEBI:33853
• CHEBI:37407 CHEBI:37407

Chemical structure

Computed structure properties

Molecular formula	C13H11NO2
Charge	0
Average mass	213.236 Da
Monoisotopic mass	213.07898 Da
Source	ChEBI
InChIKey	PEFIRMBVFBVVGZ-UHFFFAOYSA-N

SMILES

CC1=Cc2nc(C)cc3cc(O)cc(c23)O1

InChI

InChI=1S/C13H11NO2/c1-7-3-9-5-10(15)6-12-13(9)11(14-7)4-8(2)16-12/h3-6,15H,1-2H3

Also called

• 2,5-dimethylpyrano[2,3,4-ij]isoquinolin-8-ol (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

• reaxys:11166745

Activity roles

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

• CHEBI:38068 CHEBI:38068

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:65596	cassiarin A	antibioticmech:chebi-c12113cc43	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. 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.