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CHEBI:68272 - jasplakinolide Q

ChEBI IDCHEBI:68272
ChEBI Namejasplakinolide Q
Stars
DefinitionA cyclodepsipeptide isolated from Jaspis splendens.
Last Modified13 April 2015
DownloadsMolfile
FormulaC36H46N4O6
Net Charge0
Average Mass630.786
Monoisotopic Mass630.34174
SMILESC/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2cnc3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1
InChIInChI=1S/C36H46N4O6/c1-21-15-22(2)17-24(4)46-33(42)19-31(26-11-13-28(41)14-12-26)39-35(44)32(18-27-20-37-30-10-8-7-9-29(27)30)40(6)36(45)25(5)38-34(43)23(3)16-21/h7-15,20,22-25,31-32,37,41H,16-19H2,1-6H3,(H,38,43)(H,39,44)/b21-15+/t22-,23-,24-,25-,31+,32+/m0/s1
InChIKeyPWHMXYJBGYEDHW-RWGHOPJMSA-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 Q (CHEBI:68272) has role animal metabolite (CHEBI:75767)
jasplakinolide Q (CHEBI:68272) has role antineoplastic agent (CHEBI:35610)
jasplakinolide Q (CHEBI:68272) has role marine metabolite (CHEBI:76507)
jasplakinolide Q (CHEBI:68272) is a cyclodepsipeptide (CHEBI:35213)
jasplakinolide Q (CHEBI:68272) is a indoles (CHEBI:24828)
jasplakinolide Q (CHEBI:68272) is a phenols (CHEBI:33853)
IUPAC Name 
(4R,7R,10S,13S,15E,17R,19S)-4-(4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
Registry NumbersSources
Reaxys:19477210Reaxys
Citations