EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65711 - cystodytin E

ChEBI IDCHEBI:65711
ChEBI Namecystodytin E
Stars
DefinitionAn alkaloid that is an enamide obtained by the formal condensation of tiglic acid with 6-(2-amino-1-hydroxyethyl)-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
FormulaC22H19N3O3
Net Charge0
Average Mass373.412
Monoisotopic Mass373.14264
SMILESC/C=C(\C)C(=O)NCC(O)C1=CC(=O)c2nccc3c2c1nc1ccccc13
InChIInChI=1S/C22H19N3O3/c1-3-12(2)22(28)24-11-18(27)15-10-17(26)21-19-14(8-9-23-21)13-6-4-5-7-16(13)25-20(15)19/h3-10,18,27H,11H2,1-2H3,(H,24,28)/b12-3+
InChIKeyKRUWAHKXRDZFIJ-KGVSQERTSA-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 E (CHEBI:65711) has functional parent tiglic acid (CHEBI:9592)
cystodytin E (CHEBI:65711) has role antineoplastic agent (CHEBI:35610)
cystodytin E (CHEBI:65711) has role metabolite (CHEBI:25212)
cystodytin E (CHEBI:65711) is a alkaloid (CHEBI:22315)
cystodytin E (CHEBI:65711) is a enamide (CHEBI:51751)
cystodytin E (CHEBI:65711) is a enone (CHEBI:51689)
cystodytin E (CHEBI:65711) is a organic heterotetracyclic compound (CHEBI:38163)
cystodytin E (CHEBI:65711) is a secondary alcohol (CHEBI:35681)
cystodytin E (CHEBI:65711) is a secondary carboxamide (CHEBI:140325)
Incoming Relation(s)
cystodytin I (CHEBI:65715) has functional parent cystodytin E (CHEBI:65711)
IUPAC Name 
(2E)-N-[2-hydroxy-2-(4-oxo-4H-pyrido[2,3,4-kl]acridin-6-yl)ethyl]-2-methylbut-2-enamide
Manual XrefsDatabases
10473434ChemSpider
Citations