CHEBI:67856 - pescaprein XXVI

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ChEBI Name pescaprein XXVI
ChEBI ID CHEBI:67856
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 C69H110O25
Net Charge 0
Average Mass 1339.59670
Monoisotopic Mass 1338.73362
InChI InChI=1S/C69H110O25/c1-10-12-14-15-17-21-29-35-47(71)89-63-62(94-65-53(77)51(75)49(73)39(5)81-65)58(91-66-54(78)59(56(41(7)83-66)90-64(80)38(3)4)88-48(72)37-36-44-30-25-23-26-31-44)43(9)85-69(63)92-57-42(8)84-67-55(79)60(57)87-46(70)34-28-22-19-16-18-20-27-33-45(32-24-13-11-2)86-68-61(93-67)52(76)50(74)40(6)82-68/h23,25-26,30-31,36-43,45,49-63,65-69,73-79H,10-22,24,27-29,32-35H2,1-9H3/b37-36+/t39-,40+,41-,42-,43-,45-,49-,50-,51+,52-,53+,54+,55+,56-,57-,58-,59-,60-,61+,62+,63+,65-,66-,67-,68-,69-/m0/s1
InChIKey ZBJCKZGRNIECHV-XCUAYSHFSA-N
SMILES CCCCCCCCCC(=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(C)C)[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 XXVI (CHEBI:67856) has functional parent trans-cinnamic acid (CHEBI:35697)
pescaprein XXVI (CHEBI:67856) has functional parent decanoic acid (CHEBI:30813)
pescaprein XXVI (CHEBI:67856) has functional parent isobutyric acid (CHEBI:16135)
pescaprein XXVI (CHEBI:67856) has functional parent jalapinolic acid (CHEBI:75785)
pescaprein XXVI (CHEBI:67856) has role metabolite (CHEBI:25212)
pescaprein XXVI (CHEBI:67856) is a cinnamate ester (CHEBI:36087)
pescaprein XXVI (CHEBI:67856) is a decanoate ester (CHEBI:87658)
pescaprein XXVI (CHEBI:67856) is a macrocyclic lactone (CHEBI:63944)
pescaprein XXVI (CHEBI:67856) is a pentasaccharide derivative (CHEBI:63566)
pescaprein XXVI (CHEBI:67856) is a resin glycoside (CHEBI:75756)
Registry Number Type Source
21523281 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21338052 PubMed citation Europe PMC
Last Modified
03 September 2015