CHEBI:68279 - (+)-jasplakinolide W

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ChEBI Name (+)-jasplakinolide W
ChEBI ID CHEBI:68279
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 C36H43BrN4O7
Net Charge 0
Average Mass 723.65300
Monoisotopic Mass 722.23151
InChI InChI=1S/C36H43BrN4O7/c1-19-13-20(2)15-22(4)48-32(44)18-28(24-11-12-30(42)31(43)16-24)40-35(46)29(17-26-25-9-7-8-10-27(25)39-33(26)37)41(6)36(47)23(5)38-34(45)21(3)14-19/h7-13,16,18,20-23,29,39,42-43H,14-15,17H2,1-6H3,(H,38,45)(H,40,46)/b19-13+,28-18-/t20-,21-,22-,23-,29+/m0/s1
InChIKey QIXWTNQUYUZIHF-HOYRBNAJSA-N
SMILES C[C@H]1C[C@@H](C)\C=C(C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N\C(=C/C(=O)O1)c1ccc(O)c(O)c1
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 W (CHEBI:68279) has role animal metabolite (CHEBI:75767)
(+)-jasplakinolide W (CHEBI:68279) has role antineoplastic agent (CHEBI:35610)
(+)-jasplakinolide W (CHEBI:68279) has role marine metabolite (CHEBI:76507)
(+)-jasplakinolide W (CHEBI:68279) is a catechols (CHEBI:33566)
(+)-jasplakinolide W (CHEBI:68279) is a cyclodepsipeptide (CHEBI:35213)
(+)-jasplakinolide W (CHEBI:68279) is a indoles (CHEBI:24828)
(+)-jasplakinolide W (CHEBI:68279) is a organobromine compound (CHEBI:37141)
IUPAC Name
(3Z,7R,10S,13S,15E,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-4-(3,4-dihydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadeca-3,15-diene-2,6,9,12-tetrone
Registry Number Type Source
21404712 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21241058 PubMed citation Europe PMC
Last Modified
13 April 2015