CHEBI:65714 - cystodytin H

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ChEBI Name cystodytin H
ChEBI ID CHEBI:65714
Definition An alkaloid ester obtained by formal condensation of cystodytin D with elaidic acid. 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 C40H51N3O4
Net Charge 0
Average Mass 637.85060
Monoisotopic Mass 637.38796
InChI InChI=1S/C40H51N3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-37(46)47-35(28-42-36(45)26-29(2)3)32-27-34(44)40-38-31(24-25-41-40)30-21-19-20-22-33(30)43-39(32)38/h11-12,19-22,24-27,35H,4-10,13-18,23,28H2,1-3H3,(H,42,45)/b12-11+
InChIKey VIBRCGDWEDQVOU-VAWYXSNFSA-N
SMILES CCCCCCCC\C=C\CCCCCCCC(=O)OC(CNC(=O)C=C(C)C)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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cystodytin H (CHEBI:65714) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127)
cystodytin H (CHEBI:65714) has functional parent cystodytin D (CHEBI:65710)
cystodytin H (CHEBI:65714) has functional parent elaidic acid (CHEBI:27997)
cystodytin H (CHEBI:65714) has role antineoplastic agent (CHEBI:35610)
cystodytin H (CHEBI:65714) has role metabolite (CHEBI:25212)
cystodytin H (CHEBI:65714) is a alkaloid ester (CHEBI:38481)
cystodytin H (CHEBI:65714) is a enamide (CHEBI:51751)
cystodytin H (CHEBI:65714) is a enone (CHEBI:51689)
cystodytin H (CHEBI:65714) is a organic heterotetracyclic compound (CHEBI:38163)
cystodytin H (CHEBI:65714) is a secondary carboxamide (CHEBI:140325)
IUPAC Name
2-[(3-methylbut-2-enoyl)amino]-1-(4-oxo-4H-pyrido[2,3,4-kl]acridin-6-yl)ethyl (9E)-octadec-9-enoate
Manual Xref Database
10473437 ChemSpider
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Citation Waiting for Citations Type Source
1812214 PubMed citation Europe PMC
Last Modified
07 March 2018