CHEBI:70694 - (−)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-heptene

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ChEBI Name (−)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-heptene
ChEBI ID CHEBI:70694
ChEBI ASCII Name (-)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-heptene
Definition A diarylheptanoid that is (6E)-6-heptene substituted by an acetoxy group at position 3, a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H24O5
Net Charge 0
Average Mass 356.41230
Monoisotopic Mass 356.16237
InChI InChI=1S/C21H24O5/c1-15(22)26-19(12-8-17-9-13-20(24)21(25)14-17)5-3-2-4-16-6-10-18(23)11-7-16/h2,4,6-7,9-11,13-14,19,23-25H,3,5,8,12H2,1H3/b4-2+/t19-/m0/s1
InChIKey QSIWSPJKOPVWIU-GVTIMSHASA-N
SMILES CC(=O)O[C@@H](CC\C=C\c1ccc(O)cc1)CCc1ccc(O)c(O)c1
Metabolite of Species Details
Curcuma kwangsiensis (NCBI:txid136216) Found in rhizome (BTO:0001181). 70% ethanolic extract of rhizomes See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via diarylheptanoid )
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ChEBI Ontology
Outgoing (−)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-heptene (CHEBI:70694) has role plant metabolite (CHEBI:76924)
(−)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-heptene (CHEBI:70694) is a acetate ester (CHEBI:47622)
(−)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-heptene (CHEBI:70694) is a catechols (CHEBI:33566)
(−)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-heptene (CHEBI:70694) is a diarylheptanoid (CHEBI:78802)
IUPAC Name
(3S,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-6-en-3-yl acetate
Registry Number Type Source
21038429 Reaxys Registry Number Reaxys
Last Modified
25 March 2015