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CHEBI:65712 - cystodytin F

ChEBI IDCHEBI:65712
ChEBI Namecystodytin F
Stars
DefinitionAn alkaloid that is an enamide obtained by the formal condensation of 3-methylbut-2-enoic acid with 6-(2-amino-1-methoxyethyl)-4H-pyrido[2,3,4-kl]acridin-4-one. It is isolated from the Okinawan marine tunicate Cystodytes dellechiajei and exhibits cytotoxicity against human epidermoid carcinoma KB cells.
Last Modified7 March 2018
DownloadsMolfile
FormulaC23H21N3O3
Net Charge0
Average Mass387.439
Monoisotopic Mass387.15829
SMILESCOC(CNC(=O)C=C(C)C)C1=CC(=O)c2nccc3c2c1nc1ccccc13
InChIInChI=1S/C23H21N3O3/c1-13(2)10-20(28)25-12-19(29-3)16-11-18(27)23-21-15(8-9-24-23)14-6-4-5-7-17(14)26-22(16)21/h4-11,19H,12H2,1-3H3,(H,25,28)
InChIKeyRDUYTERZAINXAH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cystodytes dellechiajei (ncbitaxon:260824) - PubMed (1812214)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
cystodytin F (CHEBI:65712) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127)
cystodytin F (CHEBI:65712) has role antineoplastic agent (CHEBI:35610)
cystodytin F (CHEBI:65712) has role metabolite (CHEBI:25212)
cystodytin F (CHEBI:65712) is a alkaloid (CHEBI:22315)
cystodytin F (CHEBI:65712) is a enamide (CHEBI:51751)
cystodytin F (CHEBI:65712) is a enone (CHEBI:51689)
cystodytin F (CHEBI:65712) is a ether (CHEBI:25698)
cystodytin F (CHEBI:65712) is a organic heterotetracyclic compound (CHEBI:38163)
cystodytin F (CHEBI:65712) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-[2-methoxy-2-(4-oxo-4H-pyrido[2,3,4-kl]acridin-6-yl)ethyl]-3-methylbut-2-enamide
Manual XrefsDatabases
10473435ChemSpider
Citations