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CHEBI:69097 - kanzonol P

ChEBI IDCHEBI:69097
ChEBI Namekanzonol P
Stars
DefinitionA member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 9, methoxy groups at position 1 and 3 and a prenyl group at position 2. It has been isolated from Glycyrrhiza uralensis.
Last Modified16 January 2014
DownloadsMolfile
FormulaC22H24O5
Net Charge0
Average Mass368.429
Monoisotopic Mass368.16237
SMILES[H][C@@]12COc3cc(OC)c(CC=C(C)C)c(OC)c3[C@]1([H])Oc1cc(O)ccc12
InChIInChI=1S/C22H24O5/c1-12(2)5-7-15-17(24-3)10-19-20(21(15)25-4)22-16(11-26-19)14-8-6-13(23)9-18(14)27-22/h5-6,8-10,16,22-23H,7,11H2,1-4H3/t16-,22+/m0/s1
InChIKeyZCGOJWAIXQAUMW-KSFYIVLOSA-N
Species of MetaboliteComponentSourceComments
Glycyrrhiza uralensis (ncbitaxon:74613) root (BTO:0001188) PubMed (22074222) Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier
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.
ChEBI Ontology
Outgoing Relation(s)
kanzonol P (CHEBI:69097) has functional parent (6aR,11aR)-pterocarpan (CHEBI:73133)
kanzonol P (CHEBI:69097) has role plant metabolite (CHEBI:76924)
kanzonol P (CHEBI:69097) is a aromatic ether (CHEBI:35618)
kanzonol P (CHEBI:69097) is a phenols (CHEBI:33853)
IUPAC Name 
(6aR,11aR)-1,3-dimethoxy-2-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol
Synonyms  Source
(6aR,11aR)-9-hydroxy-1,3-dimethoxy-2-prenhylpterocarpanHMDB
9-hydroxy-1,3-dimethoxy-2-prenylpterocarpanHMDB
Manual XrefsDatabases
HMDB0041193HMDB
Registry NumbersSources
Reaxys:6827560Reaxys
Citations