chelerythrine
CHEBI:78373
·resolve ·ANTIBACTERIAL
·EXACT
SEEDED
A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. — 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.
Chemical structure
Computed structure properties
| Molecular formula | C21H18NO4 |
|---|
| Charge | 1 |
|---|
| Average mass | 348.378 Da |
|---|
| Monoisotopic mass | 348.12303 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | LLEJIEBFSOEYIV-UHFFFAOYSA-N |
|---|
SMILES
COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC
InChI
InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
Also called
- 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium (EXACT_SYNONYM)— chebi
- 1,2-Dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:34316-15-9
- kegg.compound:C12227
- knapsack:C00024634
- knapsack:C00024660
- lincs.smallmolecule:LSM-1187
- metacyc.compound:CPD-16782
- pdb-ccd:CTI
- reaxys:3915260
- wikipedia.en:Chelerythrine
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
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:78373 |
chelerythrine |
antibioticmech:chebi-cd1a4e7da7 |
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.