CHEBI:132250 - (+)-DCA-CC

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (+)-DCA-CC
ChEBI ID CHEBI:132250
Definition A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H18O8
Net Charge 0
Average Mass 386.353
Monoisotopic Mass 386.10017
InChI InChI=1S/C20H18O8/c1-26-14-9-11(4-5-13(14)21)18-17(20(24)25)12-7-10(3-6-16(22)23)8-15(27-2)19(12)28-18/h3-9,17-18,21H,1-2H3,(H,22,23)(H,24,25)/b6-3+/t17-,18+/m0/s1
InChIKey JTHPLBUVRLOJBB-KCILRPRFSA-N
SMILES C1=C(C=C2C(=C1OC)O[C@@H]([C@H]2C(=O)O)C3=CC=C(C(=C3)OC)O)/C=C/C(O)=O
Metabolite of Species Details
Sphingobium sp. (NCBI:txid627192) of strain SYK-6 See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-DCA-CC (CHEBI:132250) has functional parent ferulic acid (CHEBI:17620)
(+)-DCA-CC (CHEBI:132250) has role bacterial xenobiotic metabolite (CHEBI:76976)
(+)-DCA-CC (CHEBI:132250) is a 1-benzofurans (CHEBI:38830)
(+)-DCA-CC (CHEBI:132250) is a dicarboxylic acid (CHEBI:35692)
(+)-DCA-CC (CHEBI:132250) is a guaiacols (CHEBI:134251)
(+)-DCA-CC (CHEBI:132250) is a lignan (CHEBI:25036)
(+)-DCA-CC (CHEBI:132250) is a olefinic compound (CHEBI:78840)
(+)-DCA-CC (CHEBI:132250) is conjugate acid of (+)-DCA-CC(2−) (CHEBI:131935)
(+)-DCA-CC (CHEBI:132250) is enantiomer of (−)-DCA-CC (CHEBI:132249)
Incoming (+)-DCA-CC(2−) (CHEBI:131935) is conjugate base of (+)-DCA-CC (CHEBI:132250)
(−)-DCA-CC (CHEBI:132249) is enantiomer of (+)-DCA-CC (CHEBI:132250)
IUPAC Name
(2S,3S)-5-[(E)-2-carboxyethenyl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
Synonym Source
(+)-dehydrodiconiferyl acid carboxylate MetaCyc
Manual Xref Database
CPD-18965 MetaCyc
View more database links
Registry Number Type Source
7952628 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
26362985 PubMed citation Europe PMC
Last Modified
12 April 2017