CHEBI:67855 - pescaprein XXV

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ChEBI Name pescaprein XXV
ChEBI ID CHEBI:67855
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 C71H114O25
Net Charge 0
Average Mass 1367.64990
Monoisotopic Mass 1366.76492
InChI InChI=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
InChIKey GEIFMZOIUWDOQZ-DQRIPJEXSA-N
SMILES CCCCCCCCCCCC(=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 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 Number Type Source
21523284 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21338052 PubMed citation Europe PMC
Last Modified
26 August 2015