(+)-jasplakinolide Z2 (CHEBI:68275)

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CHEBI:68275 - (+)-jasplakinolide Z₂

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ChEBI ID	CHEBI:68275
ChEBI Name	(+)-jasplakinolide Z₂
Stars
ASCII Name	(+)-jasplakinolide Z2
Definition	A depsipeptide isolated from Jaspis splendens.
Last Modified	13 April 2015
Downloads	Molfile

Formula	C37H49BrN4O7
Net Charge	0
Average Mass	741.724
Monoisotopic Mass	740.27846
SMILES	[H][C@@](Cc1c(Br)nc2ccccc12)(C(=O)N[C@H](CC(=O)OC)c1ccc(O)cc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C/C(C)=C/[C@H](C)C[C@H](C)O
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

Species of Metabolite	Component	Source	Comments
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:	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:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	(+)-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 Numbers	Sources
Reaxys:21404707	Reaxys

Citations