CHEBI:70690 - (−)-(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol

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ChEBI Name (−)-(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol
ChEBI ID CHEBI:70690
ChEBI ASCII Name (-)-(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol
Definition A diarylheptanoid that is heptan-3-ol substituted by 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 C19H24O4
Net Charge 0
Average Mass 316.39150
Monoisotopic Mass 316.16746
InChI InChI=1S/C19H24O4/c20-16(11-7-15-8-12-18(22)19(23)13-15)4-2-1-3-14-5-9-17(21)10-6-14/h5-6,8-10,12-13,16,20-23H,1-4,7,11H2/t16-/m0/s1
InChIKey SENGGJLGUFGNIH-INIZCTEOSA-N
SMILES 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 )
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ChEBI Ontology
Outgoing (−)-(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol (CHEBI:70690) has role plant metabolite (CHEBI:76924)
(−)-(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol (CHEBI:70690) is a catechols (CHEBI:33566)
(−)-(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol (CHEBI:70690) is a diarylheptanoid (CHEBI:78802)
(−)-(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol (CHEBI:70690) is a secondary alcohol (CHEBI:35681)
IUPAC Name
4-[(3S)-3-hydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol
Registry Number Type Source
21038426 Reaxys Registry Number Reaxys
Last Modified
25 March 2015