CHEBI:68275 - (+)-jasplakinolide Z2

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ChEBI Name (+)-jasplakinolide Z2
ChEBI ID CHEBI:68275
ChEBI ASCII Name (+)-jasplakinolide Z2
Definition A depsipeptide isolated from Jaspis splendens.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C37H49BrN4O7
Net Charge 0
Average Mass 741.71200
Monoisotopic Mass 740.27846
InChI InChI=1S/C37H49BrN4O7/c1-21(16-22(2)18-24(4)43)17-23(3)35(46)39-25(5)37(48)42(6)32(19-29-28-10-8-9-11-30(28)40-34(29)38)36(47)41-31(20-33(45)49-7)26-12-14-27(44)15-13-26/h8-16,22-25,31-32,40,43-44H,17-20H2,1-7H3,(H,39,46)(H,41,47)/b21-16+/t22-,23-,24-,25-,31+,32+/m0/s1
InChIKey SAOHIQDCGBINCP-KVSNERESSA-N
SMILES COC(=O)C[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@H](C)C[C@H](C)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): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-jasplakinolide Z2 (CHEBI:68275) has role animal metabolite (CHEBI:75767)
(+)-jasplakinolide Z2 (CHEBI:68275) has role antineoplastic agent (CHEBI:35610)
(+)-jasplakinolide Z2 (CHEBI:68275) has role marine metabolite (CHEBI:76507)
(+)-jasplakinolide Z2 (CHEBI:68275) is a depsipeptide (CHEBI:23643)
(+)-jasplakinolide Z2 (CHEBI:68275) is a indoles (CHEBI:24828)
(+)-jasplakinolide Z2 (CHEBI:68275) is a methyl ester (CHEBI:25248)
(+)-jasplakinolide Z2 (CHEBI:68275) is a organobromine compound (CHEBI:37141)
(+)-jasplakinolide Z2 (CHEBI:68275) is a phenols (CHEBI:33853)
IUPAC Name
N-[(2S,4E,6R,8S)-8-hydroxy-2,4,6-trimethylnon-4-enoyl]-L-alanyl-2-bromo-N-[(1R)-1-(4-hydroxyphenyl)-3-methoxy-3-oxopropyl]-Nα-methyl-D-tryptophanamide
Registry Number Type Source
21404707 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21241058 PubMed citation Europe PMC
Last Modified
13 April 2015