mansouramycin A

CHEBI:177359 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A member of the class of isoquinolines that is 5,8-dihydroisoquinoline substituted by methyl, methyl, oxo, methylamino and oxo groups at positions 3, 4, 5, 7 and 8, respectively. It was isolated from Streptomyces Sp. strain Mei37 from North Sea coast, Germany. — 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.

CHEBI:24922 CHEBI:24922
CHEBI:25830 CHEBI:25830
CHEBI:50995 CHEBI:50995

Chemical structure

Computed structure properties
Molecular formula	C12H12N2O2
Charge	0
Average mass	216.24 Da
Monoisotopic mass	216.08988 Da
Source	ChEBI
InChIKey	SDLNCVBYFYLESJ-UHFFFAOYSA-N

SMILES

CNC1=CC(=O)c2c(cnc(C)c2C)C1=O

InChI

InChI=1S/C12H12N2O2/c1-6-7(2)14-5-8-11(6)10(15)4-9(13-3)12(8)16/h4-5,13H,1-3H3

Also called

3,4-dimethyl-7-(methylamino)isoquinoline-5,8-dione (EXACT_SYNONYM)— chebi
7-methylamino-3,4-dimethylisoquinoline-5,8-dione (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:1199808-44-0
chemspider:24659745
knapsack:C00047986

Activity roles

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

CHEBI:33282 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:177359`	mansouramycin A	`antibioticmech:chebi-2ec0895ef5`	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.