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CHEBI:67855 - pescaprein XXV

ChEBI IDCHEBI:67855
ChEBI Namepescaprein XXV
Stars
DefinitionA resin glycoside that is the pentasaccharide derivative of jalapinolic acid. Isolated from the aerial parts of Ipomoea pes-caprae, it has been found to exhibit potential inhibitory effect against multidrug resistance in the human breast cancer cell line.
Last Modified26 August 2015
DownloadsMolfile
FormulaC71H114O25
Net Charge0
Average Mass1367.668
Monoisotopic Mass1366.76492
SMILES[H][C@@]1(O[C@@H]2[C@@H](O[C@]3([H])O[C@@H](C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)/C=C/c4ccccc4)[C@H]3O)[C@H](C)O[C@@H](O[C@@]3([H])[C@H](C)O[C@H]4O[C@@]5([H])[C@H](O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]3[C@H]4O)O[C@H](C)[C@H](O)[C@@H]5O)[C@@H]2OC(=O)CCCCCCCCCCC)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C71H114O25/c1-10-12-14-15-16-17-20-23-31-37-49(73)91-65-64(96-67-55(79)53(77)51(75)41(5)83-67)60(93-68-56(80)61(58(43(7)85-68)92-66(82)40(3)4)90-50(74)39-38-46-32-27-25-28-33-46)45(9)87-71(65)94-59-44(8)86-69-57(81)62(59)89-48(72)36-30-24-21-18-19-22-29-35-47(34-26-13-11-2)88-70-63(95-69)54(78)52(76)42(6)84-70/h25,27-28,32-33,38-45,47,51-65,67-71,75-81H,10-24,26,29-31,34-37H2,1-9H3/b39-38+/t41-,42+,43-,44-,45-,47-,51-,52-,53+,54-,55+,56+,57+,58-,59-,60-,61-,62-,63+,64+,65+,67-,68-,69-,70-,71-/m0/s1
InChIKeyGEIFMZOIUWDOQZ-DQRIPJEXSA-N
Species of MetaboliteComponentSourceComments
Ipomoea pes-caprae (ncbitaxon:89656) aerial part (BTO:0001658) PubMed (21338052) The air-dried aerial parts were powdered and refluxed with 95% EtOH
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
pescaprein XXV (CHEBI:67855) has functional parent trans-cinnamic acid (CHEBI:35697)
pescaprein XXV (CHEBI:67855) has functional parent dodecanoic acid (CHEBI:30805)
pescaprein XXV (CHEBI:67855) has functional parent isobutyric acid (CHEBI:16135)
pescaprein XXV (CHEBI:67855) has functional parent jalapinolic acid (CHEBI:75785)
pescaprein XXV (CHEBI:67855) has role metabolite (CHEBI:25212)
pescaprein XXV (CHEBI:67855) is a cinnamate ester (CHEBI:36087)
pescaprein XXV (CHEBI:67855) is a dodecanoate ester (CHEBI:87659)
pescaprein XXV (CHEBI:67855) is a macrocyclic lactone (CHEBI:63944)
pescaprein XXV (CHEBI:67855) is a pentasaccharide derivative (CHEBI:63566)
Registry NumbersSources
Reaxys:21523284Reaxys
Citations