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CHEBI:68278 - (+)-jasplakinolide V

ChEBI IDCHEBI:68278
ChEBI Name(+)-jasplakinolide V
Stars
DefinitionA cyclodepsipeptide isolated from Jaspis splendens.
Last Modified13 April 2015
DownloadsMolfile
FormulaC36H45BrN4O7
Net Charge0
Average Mass725.681
Monoisotopic Mass724.24716
SMILESC/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)c(O)c2)NC(=O)[C@@H](Cc2c(Br)nc3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1
InChIInChI=1S/C36H45BrN4O7/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/h7-13,16,20-23,28-29,39,42-43H,14-15,17-18H2,1-6H3,(H,38,45)(H,40,46)/b19-13+/t20-,21-,22-,23-,28+,29+/m0/s1
InChIKeyJQNJHYUNCXNUET-PTLFGHRPSA-N
Species of MetaboliteComponentSourceComments
Jaspis splendens (WORMS:169842) - PubMed (21241058) Methanolic extract of sponge
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
(+)-jasplakinolide V (CHEBI:68278) has role animal metabolite (CHEBI:75767)
(+)-jasplakinolide V (CHEBI:68278) has role antineoplastic agent (CHEBI:35610)
(+)-jasplakinolide V (CHEBI:68278) has role marine metabolite (CHEBI:76507)
(+)-jasplakinolide V (CHEBI:68278) is a catechols (CHEBI:33566)
(+)-jasplakinolide V (CHEBI:68278) is a cyclodepsipeptide (CHEBI:35213)
(+)-jasplakinolide V (CHEBI:68278) is a indoles (CHEBI:24828)
(+)-jasplakinolide V (CHEBI:68278) is a organobromine compound (CHEBI:37141)
IUPAC Name 
(4R,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-triazacyclononadec-15-ene-2,6,9,12-tetrone
Registry NumbersSources
Reaxys:21404714Reaxys
Citations