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CHEBI:65890 - evolvoid A

ChEBI IDCHEBI:65890
ChEBI Nameevolvoid A
Stars
DefinitionA cinnamate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with 2-methylbutane-1,2,3-triol and in which the hydroxy group at position 4 is replaced by a 2,3,4-trihydroxy-2-methylbutyl]oxy group. Isolated from the whole plants of Evolvulus alsinoides, it exhibits characteristics of an Ayurvedic crude drug.
Last Modified25 January 2013
DownloadsMolfile
FormulaC19H28O10
Net Charge0
Average Mass416.423
Monoisotopic Mass416.16825
SMILESC[C@](O)(CO)[C@@H](O)COC(=O)/C=C/c1ccc(OC[C@@](C)(O)[C@H](O)CO)c(O)c1
InChIInChI=1S/C19H28O10/c1-18(26,10-21)16(24)9-28-17(25)6-4-12-3-5-14(13(22)7-12)29-11-19(2,27)15(23)8-20/h3-7,15-16,20-24,26-27H,8-11H2,1-2H3/b6-4+/t15-,16+,18+,19-/m1/s1
InChIKeyGTNFLOUXEFGGSM-BSVFCNQSSA-N
Species of MetaboliteComponentSourceComments
Evolvulus alsinoides (ncbitaxon:439689) whole plant (BTO:0001461) PubMed (17473466)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
drug  Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances.
ChEBI Ontology
Outgoing Relation(s)
evolvoid A (CHEBI:65890) has functional parent trans-caffeic acid (CHEBI:16433)
evolvoid A (CHEBI:65890) has role drug (CHEBI:23888)
evolvoid A (CHEBI:65890) has role metabolite (CHEBI:25212)
evolvoid A (CHEBI:65890) is a cinnamate ester (CHEBI:36087)
evolvoid A (CHEBI:65890) is a polyol (CHEBI:26191)
IUPAC Name 
(2S,3S)-2,3,4-trihydroxy-3-methylbutyl (2E)-3-(3-hydroxy-4-{[(2R,3R)-2,3,4-trihydroxy-2-methylbutyl]oxy}phenyl)prop-2-enoate
Synonym  Source
2,3,4-trihydroxy-3-methylbutyl-3-[3-hydroxy-4-(2,3,4-trihydroxy-2-methyl-butoxy)-phenyl]-2-propenoateChEBI
Registry NumbersSources
Reaxys:11171004Reaxys
Citations