EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:7014 - mucronulatol

ChEBI IDCHEBI:7014
ChEBI Namemucronulatol
Stars
DefinitionA methoxyisoflavan that is (S)-isoflavan substituted by methoxy groups at positions 2' and 4' and hydroxy groups at positions 7 and 3' respectively.
Last Modified9 June 2015
DownloadsMolfile
FormulaC17H18O5
Net Charge0
Average Mass302.326
Monoisotopic Mass302.11542
SMILESCOc1ccc([C@H]2COc3cc(O)ccc3C2)c(OC)c1O
InChIInChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3/t11-/m1/s1
InChIKeyNUNFZNIXYWTZMW-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Robinia pseudoacacia (ncbitaxon:35938) whole plant (BTO:0001461) PubMed (21214467)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
mucronulatol (CHEBI:7014) has functional parent (S)-isoflavan (CHEBI:36100)
mucronulatol (CHEBI:7014) has role antineoplastic agent (CHEBI:35610)
mucronulatol (CHEBI:7014) has role plant metabolite (CHEBI:76924)
mucronulatol (CHEBI:7014) is a hydroxyisoflavans (CHEBI:76250)
mucronulatol (CHEBI:7014) is a methoxyisoflavan (CHEBI:77002)
IUPAC Name 
(3S)-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Synonym  Source
(−)-mucronulatolChEBI
Manual XrefsDatabases
C10507KEGG COMPOUND
C00002551KNApSAcK
LMPK12080024LIPID MAPS
Registry NumbersSources
Reaxys:11296967Reaxys
CAS:20878-97-1KEGG COMPOUND
Citations