CHEBI:67860 - pescaprein XXX

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ChEBI Name pescaprein XXX
ChEBI ID CHEBI:67860
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 C61H106O24
Net Charge 0
Average Mass 1223.47990
Monoisotopic Mass 1222.70740
InChI InChI=1S/C61H106O24/c1-10-13-15-16-18-22-27-31-40(63)80-55-54(85-57-46(69)44(67)41(64)33(5)73-57)50(83-58-48(71)51(43(66)35(7)74-58)81-56(72)32(4)12-3)37(9)77-61(55)82-49-36(8)76-60-53(47(49)70)79-39(62)30-26-23-20-17-19-21-25-29-38(28-24-14-11-2)78-59-52(84-60)45(68)42(65)34(6)75-59/h32-38,41-55,57-61,64-71H,10-31H2,1-9H3/t32-,33-,34+,35-,36-,37-,38-,41-,42-,43-,44+,45-,46+,47+,48+,49-,50-,51+,52+,53+,54+,55+,57-,58-,59-,60-,61-/m0/s1
InChIKey FOEGAVYCKSBQPD-MRVDFAPOSA-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]3[C@@H]2O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC(=O)[C@@H](C)CC)[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 XXX (CHEBI:67860) has functional parent (S)-2-methylbutyric acid (CHEBI:38655)
pescaprein XXX (CHEBI:67860) has functional parent jalapinolic acid (CHEBI:75785)
pescaprein XXX (CHEBI:67860) has functional parent octanoic acid (CHEBI:28837)
pescaprein XXX (CHEBI:67860) has role metabolite (CHEBI:25212)
pescaprein XXX (CHEBI:67860) is a cinnamate ester (CHEBI:36087)
pescaprein XXX (CHEBI:67860) is a decanoate ester (CHEBI:87658)
pescaprein XXX (CHEBI:67860) is a macrocyclic lactone (CHEBI:63944)
pescaprein XXX (CHEBI:67860) is a pentasaccharide derivative (CHEBI:63566)
pescaprein XXX (CHEBI:67860) is a resin glycoside (CHEBI:75756)
Synonym Source
(11S)-jalapinolic acid 11-O-α-L-rhamnopyranosyl-(1→3)-4-O-[3-O-(2S-methylbutanoyl)-α-L-rhamnopyranosyl-(1→4)]-O-[2-O-n-decanoyl]-α-L-rhamnopyranosyl-(1→4)-O-α-L-rhamnopyranosyl-(1→2)-O-β-D-fucopyranoside-(1,2''-lactone) ChEBI
Registry Number Type Source
21523277 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21338052 PubMed citation Europe PMC
Last Modified
03 September 2015