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CHEBI:233245 - lunasine

ChEBI IDCHEBI:233245
ChEBI Namelunasine
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC17H22NO3
Net Charge+1
Average Mass288.367
Monoisotopic Mass288.15942
SMILES[H][C@]1(C(C)C)CC2=C(OC)c3cccc(OC)c3N(C)C2=[O+]1
InChIInChI=1S/C17H22NO3/c1-10(2)14-9-12-16(20-5)11-7-6-8-13(19-4)15(11)18(3)17(12)21-14/h6-8,10,14H,9H2,1-5H3/q+1/t14-/m1/s1
InChIKeyGUIBZZYABLMRRD-CQSZACIVSA-N
Species of MetaboliteComponentSourceComments
Glycine max (ncbitaxon:3847) - PubMed (30200502)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
lunasine (CHEBI:233245) has role antineoplastic agent (CHEBI:35610)
lunasine (CHEBI:233245) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-4,8-dimethoxy-9-methyl-2-propan-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-ium
Synonym  Source
lunasinSUBMITTER
Manual XrefsDatabases
DB16223DrugBank
Registry NumbersSources
CAS:6901-22-0SUBMITTER
Citations