CHEBI:65890 - evolvoid A

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ChEBI Name evolvoid A
ChEBI ID CHEBI:65890
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H28O10
Net Charge 0
Average Mass 416.41960
Monoisotopic Mass 416.16825
InChI InChI=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
InChIKey GTNFLOUXEFGGSM-BSVFCNQSSA-N
SMILES C[C@](O)(CO)[C@@H](O)COC(=O)\C=C\c1ccc(OC[C@@](C)(O)[C@H](O)CO)c(O)c1
Metabolite of Species Details
Evolvulus alsinoides (NCBI:txid439689) Found in whole plant (BTO:0001461). 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.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-propenoate ChEBI
Registry Number Type Source
11171004 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17473466 PubMed citation Europe PMC
Last Modified
25 January 2013