CHEBI:68271 - jasplakinolide D

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ChEBI Name jasplakinolide D
ChEBI ID CHEBI:68271
Definition A cyclodepsipeptide isolated from Jaspis splendens.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C37H47BrN4O6
Net Charge 0
Average Mass 723.69600
Monoisotopic Mass 722.268
InChI InChI=1S/C37H47BrN4O6/c1-7-29-37(47)42(6)32(19-28-27-10-8-9-11-30(27)39-34(28)38)36(46)41-31(25-12-14-26(43)15-13-25)20-33(44)48-24(5)18-22(3)16-21(2)17-23(4)35(45)40-29/h8-16,22-24,29,31-32,39,43H,7,17-20H2,1-6H3,(H,40,45)(H,41,46)/b21-16+/t22-,23-,24-,29-,31+,32+/m0/s1
InChIKey WZBSTYSFQCNXMX-RDHKBRSVSA-N
SMILES CC[C@@H]1NC(=O)[C@@H](C)C\C(C)=C\[C@H](C)C[C@H](C)OC(=O)C[C@@H](NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C1=O)c1ccc(O)cc1
Metabolite of Species Details
Jaspis sp.endens (WORMS:169842) Methanolic extract of sponge See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing jasplakinolide D (CHEBI:68271) has role animal metabolite (CHEBI:75767)
jasplakinolide D (CHEBI:68271) has role antineoplastic agent (CHEBI:35610)
jasplakinolide D (CHEBI:68271) has role marine metabolite (CHEBI:76507)
jasplakinolide D (CHEBI:68271) is a cyclodepsipeptide (CHEBI:35213)
jasplakinolide D (CHEBI:68271) is a indoles (CHEBI:24828)
jasplakinolide D (CHEBI:68271) is a organobromine compound (CHEBI:37141)
jasplakinolide D (CHEBI:68271) is a phenols (CHEBI:33853)
IUPAC Name
(4R,7R,10S,13S,15E,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-10-ethyl-4-(4-hydroxyphenyl)-8,13,15,17,19-pentamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
Registry Number Type Source
21404709 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21241058 PubMed citation Europe PMC
Last Modified
13 April 2015