cystodytin D (CHEBI:65710)

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ChEBI Name	cystodytin D

ChEBI ID	CHEBI:65710

Definition	An alkaloid that is an enamide obtained by the formal condensation of 3-methylbut-2-enoic 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C22H19N3O3

Net Charge

Average Mass

373.40460

Monoisotopic Mass

373.14264

InChI

InChI=1S/C22H19N3O3/c1-12(2)9-19(28)24-11-18(27)15-10-17(26)22-20-14(7-8-23-22)13-5-3-4-6-16(13)25-21(15)20/h3-10,18,27H,11H2,1-2H3,(H,24,28)

InChIKey

ANJZOYDQOAVRCX-UHFFFAOYSA-N

SMILES

CC(C)=CC(=O)NCC(O)C1=CC(=O)c2nccc3c4ccccc4nc1c23

Metabolite of Species	Details
Cystodytes dellechiajei (NCBI:txid260824)	See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	cystodytin D (CHEBI:65710) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) cystodytin D (CHEBI:65710) has role antineoplastic agent (CHEBI:35610) cystodytin D (CHEBI:65710) has role metabolite (CHEBI:25212) cystodytin D (CHEBI:65710) is a alkaloid (CHEBI:22315) cystodytin D (CHEBI:65710) is a enamide (CHEBI:51751) cystodytin D (CHEBI:65710) is a enone (CHEBI:51689) cystodytin D (CHEBI:65710) is a organic heterotetracyclic compound (CHEBI:38163) cystodytin D (CHEBI:65710) is a secondary alcohol (CHEBI:35681) cystodytin D (CHEBI:65710) is a secondary carboxamide (CHEBI:140325)

Incoming	cystodytin H (CHEBI:65714) has functional parent cystodytin D (CHEBI:65710)

IUPAC Name

N-[2-hydroxy-2-(4-oxo-4H-pyrido[2,3,4-kl]acridin-6-yl)ethyl]-3-methylbut-2-enamide

Citation	Type	Source
1812214	PubMed citation	Europe PMC

Last Modified

07 March 2018