CHEBI:3185 - broussin

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ChEBI Name broussin
ChEBI ID CHEBI:3185
Definition A hydroxyflavan that is (2S)-flavan substituted by a hydroxy group at position 7 and a methoxy group at position 4'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H16O3
Net Charge 0
Average Mass 256.29640
Monoisotopic Mass 256.10994
InChI InChI=1S/C16H16O3/c1-18-14-7-3-11(4-8-14)15-9-5-12-2-6-13(17)10-16(12)19-15/h2-4,6-8,10,15,17H,5,9H2,1H3/t15-/m0/s1
InChIKey JTPMXGZHRQYFTB-HNNXBMFYSA-N
SMILES COc1ccc(cc1)[C@@H]1CCc2ccc(O)cc2O1
Metabolite of Species Details
Dracaena cochinchinensis (NCBI:txid593754) See: PubMed
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.
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ChEBI Ontology
Outgoing broussin (CHEBI:3185) has functional parent (2S)-flavan (CHEBI:36103)
broussin (CHEBI:3185) has role plant metabolite (CHEBI:76924)
broussin (CHEBI:3185) is a hydroxyflavan (CHEBI:72010)
broussin (CHEBI:3185) is a methoxyflavan (CHEBI:72585)
IUPAC Name
(2S)-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Synonym Source
7-Hydroxy-4'-methoxyflavan KEGG COMPOUND
Manual Xrefs Databases
C00000943 KNApSAcK
C09505 KEGG COMPOUND
LMPK12020232 LIPID MAPS
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Registry Numbers Types Sources
5070640 Reaxys Registry Number Reaxys
76045-50-6 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
12016928 PubMed citation Europe PMC
Last Modified
04 June 2015