CHEBI:67858 - pescaprein XXVIII

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ChEBI Name pescaprein XXVIII
ChEBI ID CHEBI:67858
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C68H108O25
Net Charge 0
Average Mass 1325.57010
Monoisotopic Mass 1324.71797
InChI InChI=1S/C68H108O25/c1-10-13-15-19-27-34-46(70)88-62-61(93-64-52(76)50(74)48(72)38(5)80-64)57(90-65-53(77)58(55(40(7)82-65)89-63(79)37(4)12-3)87-47(71)36-35-43-29-24-22-25-30-43)42(9)84-68(62)91-56-41(8)83-66-54(78)59(56)86-45(69)33-28-21-18-16-17-20-26-32-44(31-23-14-11-2)85-67-60(92-66)51(75)49(73)39(6)81-67/h22,24-25,29-30,35-42,44,48-62,64-68,72-78H,10-21,23,26-28,31-34H2,1-9H3/b36-35+/t37-,38-,39+,40-,41-,42-,44-,48-,49-,50+,51-,52+,53+,54+,55-,56-,57-,58-,59-,60+,61+,62+,64-,65-,66-,67-,68-/m0/s1
InChIKey WMRCZJJWLYGRFG-ZQHADSKGSA-N
SMILES CCCCCCCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)O[C@H]3O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](OC(=O)\C=C\c3ccccc3)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Metabolite of Species Details
Ipomoea pes-caprae (NCBI:txid89656) Found in aerial part (BTO:0001658). The air-dried aerial parts were powdered and refluxed with 95% EtOH See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pescaprein XXVIII (CHEBI:67858) has functional parent (S)-2-methylbutyric acid (CHEBI:38655)
pescaprein XXVIII (CHEBI:67858) has functional parent trans-cinnamic acid (CHEBI:35697)
pescaprein XXVIII (CHEBI:67858) has functional parent jalapinolic acid (CHEBI:75785)
pescaprein XXVIII (CHEBI:67858) has role metabolite (CHEBI:25212)
pescaprein XXVIII (CHEBI:67858) is a cinnamate ester (CHEBI:36087)
pescaprein XXVIII (CHEBI:67858) is a macrocyclic lactone (CHEBI:63944)
pescaprein XXVIII (CHEBI:67858) is a octanoate ester (CHEBI:87657)
pescaprein XXVIII (CHEBI:67858) is a pentasaccharide derivative (CHEBI:63566)
pescaprein XXVIII (CHEBI:67858) is a resin glycoside (CHEBI:75756)
Registry Number Type Source
21523280 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21338052 PubMed citation Europe PMC
Last Modified
27 August 2015