jaspamide M (CHEBI:66115)

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CHEBI:66115 - jaspamide M

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ChEBI ID	CHEBI:66115
ChEBI Name	jaspamide M
Stars
Definition	A cyclodepsipeptide isolated from Jaspis splendens. A derivative of jaspamide, it has been shown to exhibit cytotoxic and microfilament disruption activity.
Last Modified	13 April 2015
Downloads	Molfile

Formula	C35H43BrN4O6
Net Charge	0
Average Mass	695.655
Monoisotopic Mass	694.23660
SMILES	C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)nc3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](C)C1
InChI	InChI=1S/C35H43BrN4O6/c1-19-14-20(2)16-22(4)46-31(42)18-29(24-10-12-25(41)13-11-24)39-35(45)30(40-34(44)23(5)37-33(43)21(3)15-19)17-27-26-8-6-7-9-28(26)38-32(27)36/h6-14,20-23,29-30,38,41H,15-18H2,1-5H3,(H,37,43)(H,39,45)(H,40,44)/b19-14+/t20-,21-,22-,23-,29+,30+/m0/s1
InChIKey	MCCCWOHEVPWUGJ-PKWVKXEBSA-N

Species of Metabolite	Component	Source	Comments
Jaspis splendens (WORMS:169842)
	-	DOI (10.1016/j.tet.2008.10.076)
	-	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. actin polymerisation inhibitor Any substance that inhibits the polymerisation of the protein actin. 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)
	jaspamide M (CHEBI:66115) has role actin polymerisation inhibitor (CHEBI:70728)
	jaspamide M (CHEBI:66115) has role animal metabolite (CHEBI:75767)
	jaspamide M (CHEBI:66115) has role antineoplastic agent (CHEBI:35610)
	jaspamide M (CHEBI:66115) has role marine metabolite (CHEBI:76507)
	jaspamide M (CHEBI:66115) is a cyclodepsipeptide (CHEBI:35213)
	jaspamide M (CHEBI:66115) is a macrocycle (CHEBI:51026)
	jaspamide M (CHEBI:66115) is a organobromine compound (CHEBI:37141)

IUPAC Name
(4R,7R,10S,13S,15E,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-10,13,15,17,19-pentamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone

Synonym	Source
jaspakinolide M	ChEBI

Registry Numbers	Sources
Reaxys:18837687	Reaxys

Citations