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CHEBI:15649 - 3,6,9-trihydroxypterocarpan

ChEBI IDCHEBI:15649
ChEBI Name3,6,9-trihydroxypterocarpan
Stars
DefinitionA member of the class of pterocarpans carrying three hydroxy substituents at positions 3, 6a and 9.
Secondary ChEBI IDsCHEBI:260, CHEBI:10935, CHEBI:18600, CHEBI:78027
Last Modified12 August 2015
SubmitterMarcus Ennis, SBeisken
DownloadsMolfile
FormulaC15H12O5
Net Charge0
Average Mass272.256
Monoisotopic Mass272.06847
SMILES[H][C@@]12Oc3cc(O)ccc3[C@]1(O)COc1cc(O)ccc12
InChIInChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1
InChIKeyQMXOFBXZEKTJIK-LSDHHAIUSA-N
Roles Classification
Biological Roles:
phytoestrogen  Any compound produced by a plant that happens to have estrogenic activity.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
3,6,9-trihydroxypterocarpan (CHEBI:15649) has role antibacterial agent (CHEBI:33282)
3,6,9-trihydroxypterocarpan (CHEBI:15649) has role antimicrobial agent (CHEBI:33281)
3,6,9-trihydroxypterocarpan (CHEBI:15649) has role phytoestrogen (CHEBI:76989)
3,6,9-trihydroxypterocarpan (CHEBI:15649) has role plant metabolite (CHEBI:76924)
3,6,9-trihydroxypterocarpan (CHEBI:15649) is a pterocarpans (CHEBI:26377)
Incoming Relation(s)
(6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan (CHEBI:50118) has functional parent 3,6,9-trihydroxypterocarpan (CHEBI:15649)
(6aS,11aS)-4-dimethylallyl-3,6a,9-trihydroxypterocarpan (CHEBI:50036) has functional parent 3,6,9-trihydroxypterocarpan (CHEBI:15649)
IUPAC Name 
(6aS,11aS)-6a,11a-dihydro-6H-benzo[4,5]furo[3,2-c]chromene-3,6a,9-triol
Synonyms  Source
3,6,9-TrihydroxypterocarpanKEGG COMPOUND
(6alphaS,11alphaS)-3,6alpha,9-trihydroxypterocarpanHMDB
(6aS,11aS)-3,6a,9-TrihydroxypterocarpanKEGG COMPOUND
(6aS-cis)-6H-Benzofuro(3,2-c)(1)benzopyran-3,6a,9(11aH)-triolChemIDplus
6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triolHMDB
(-)-GlycinolKEGG COMPOUND
UniProt Name  Source
(6aS,11aS)-3,6a,9-trihydroxypterocarpanUniProt
Manual XrefsDatabases
6AS11AS-36A9-TRIHYDROXYPTEROCARPANMetaCyc
C00002532KNApSAcK
C01263KEGG COMPOUND
HMDB0034105HMDB
LMPK12070128LIPID MAPS
Registry NumbersSources
Reaxys:1259301Reaxys
CAS:69393-95-9KEGG COMPOUND
CAS:69393-95-9ChemIDplus
Citations