CHEBI:67857 - pescaprein XXVII

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ChEBI Name pescaprein XXVII
ChEBI ID CHEBI:67857
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 C65H102O25
Net Charge 0
Average Mass 1283.49040
Monoisotopic Mass 1282.67102
InChI InChI=1S/C65H102O25/c1-11-14-21-28-41-29-24-18-16-15-17-19-25-30-42(66)83-55-50(74)63(89-56-47(71)45(69)36(7)78-64(56)82-41)80-38(9)52(55)88-65-58(86-60(76)34(5)13-3)57(90-61-48(72)46(70)44(68)35(6)77-61)53(39(10)81-65)87-62-49(73)54(51(37(8)79-62)85-59(75)33(4)12-2)84-43(67)32-31-40-26-22-20-23-27-40/h20,22-23,26-27,31-39,41,44-58,61-65,68-74H,11-19,21,24-25,28-30H2,1-10H3/b32-31+/t33-,34-,35-,36+,37-,38-,39-,41-,44-,45-,46+,47-,48+,49+,50+,51-,52-,53-,54-,55-,56+,57+,58+,61-,62-,63-,64-,65-/m0/s1
InChIKey PDASUJRDCXKFJL-ZERALPNHSA-N
SMILES CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@@H](O)[C@@H](O[C@@H](C)[C@@H]2O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](OC(=O)\C=C\c4ccccc4)[C@H]3O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2OC(=O)[C@@H](C)CC)O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2O1
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 XXVII (CHEBI:67857) has functional parent (S)-2-methylbutyric acid (CHEBI:38655)
pescaprein XXVII (CHEBI:67857) has functional parent trans-cinnamic acid (CHEBI:35697)
pescaprein XXVII (CHEBI:67857) has functional parent jalapinolic acid (CHEBI:75785)
pescaprein XXVII (CHEBI:67857) has role metabolite (CHEBI:25212)
pescaprein XXVII (CHEBI:67857) is a cinnamate ester (CHEBI:36087)
pescaprein XXVII (CHEBI:67857) is a macrocyclic lactone (CHEBI:63944)
pescaprein XXVII (CHEBI:67857) is a pentasaccharide derivative (CHEBI:63566)
pescaprein XXVII (CHEBI:67857) is a resin glycoside (CHEBI:75756)
Registry Number Type Source
21523278 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21338052 PubMed citation Europe PMC
Last Modified
01 October 2013