roseoflavin

CHEBI:72346 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

A benzopteridine that is riboflavin in which the methyl group at position 8 is substituted by a dimethylamino group. — 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:38925 CHEBI:38925

Chemical structure

Computed structure properties
Molecular formula	C18H23N5O6
Charge	0
Average mass	405.411 Da
Monoisotopic mass	405.16483 Da
Source	ChEBI
InChIKey	IGQLDUYTWDABFK-GUTXKFCHSA-N

SMILES

Cc1cc2nc3c(=O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1N(C)C

InChI

InChI=1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)/t12-,13+,15-/m0/s1

Also called

1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol (EXACT_SYNONYM)— chebi
8-demethyl-8-(dimethylamino)riboflavin (EXACT_SYNONYM)— chebi
Roseoflavine (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:51093-55-1
patent:DE102009056597
patent:WO2010019208
pdb-ccd:RS3
reaxys:1232122

Activity roles

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

CHEBI:33281 CHEBI:33281

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:72346`	roseoflavin	`antibioticmech:chebi-4f72562c5d`	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.