CHEBI:65708 - cyclomontanin D

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ChEBI Name cyclomontanin D
ChEBI ID CHEBI:65708
Definition A homodetic cyclic peptide composed of L-alanyl, Lasparaginyl, L-prolylglycyl, L-leucyl, L-prolyl and L-tyrosyl residues linked in a sequence. It is isolated from the seeds of Annona montana and has been shown to exhibit anti-inflammatory activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C34H48N8O9
Net Charge 0
Average Mass 712.79310
Monoisotopic Mass 712.35443
InChI InChI=1S/C34H48N8O9/c1-18(2)14-23-33(50)42-13-5-7-26(42)32(49)39-22(15-20-8-10-21(43)11-9-20)30(47)37-19(3)29(46)40-24(16-27(35)44)34(51)41-12-4-6-25(41)31(48)36-17-28(45)38-23/h8-11,18-19,22-26,43H,4-7,12-17H2,1-3H3,(H2,35,44)(H,36,48)(H,37,47)(H,38,45)(H,39,49)(H,40,46)/t19-,22-,23-,24-,25-,26-/m0/s1
InChIKey SRGSUICLJQYQAF-KTHKBMNISA-N
SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC2=O
Metabolite of Species Details
Annona montana (NCBI:txid49857) Found in seed (BTO:0001226). 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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cyclomontanin D (CHEBI:65708) has role anti-inflammatory agent (CHEBI:67079)
cyclomontanin D (CHEBI:65708) has role metabolite (CHEBI:25212)
cyclomontanin D (CHEBI:65708) is a homodetic cyclic peptide (CHEBI:24613)
IUPAC Name
cyclo(L-alanyl-L-asparaginyl-L-prolylglycyl-L-leucyl-L-prolyl-L-tyrosyl)
Registry Number Type Source
18863995 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18687006 PubMed citation Europe PMC
Last Modified
20 December 2012