CHEBI:70696 - (−)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane

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ChEBI Name (−)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane
ChEBI ID CHEBI:70696
ChEBI ASCII Name (-)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane
Definition A diarylheptanoid that is heptane 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
Download Molfile XML SDF
Formula C21H26O5
Net Charge 0
Average Mass 358.42810
Monoisotopic Mass 358.17802
InChI InChI=1S/C21H26O5/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/h6-7,9-11,13-14,19,23-25H,2-5,8,12H2,1H3/t19-/m0/s1
InChIKey FNZIZWQXFYAOOE-IBGZPJMESA-N
SMILES CC(=O)O[C@@H](CCCCc1ccc(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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (−)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane (CHEBI:70696) has role plant metabolite (CHEBI:76924)
(−)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane (CHEBI:70696) is a acetate ester (CHEBI:47622)
(−)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane (CHEBI:70696) is a catechols (CHEBI:33566)
(−)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane (CHEBI:70696) is a diarylheptanoid (CHEBI:78802)
IUPAC Name
(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-yl acetate
Registry Number Type Source
21038435 Reaxys Registry Number Reaxys
Last Modified
26 March 2015