CHEBI:68272 - jasplakinolide Q

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ChEBI Name jasplakinolide Q
ChEBI ID CHEBI:68272
Definition A cyclodepsipeptide isolated from Jaspis splendens.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H46N4O6
Net Charge 0
Average Mass 630.77360
Monoisotopic Mass 630.34174
InChI InChI=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
InChIKey PWHMXYJBGYEDHW-RWGHOPJMSA-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[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
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 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 Number Type Source
19477210 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21241058 PubMed citation Europe PMC
Last Modified
13 April 2015