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CHEBI:67389 - pterolinus G

Default Structure
ChEBI IDCHEBI:67389
ChEBI Namepterolinus G
Stars
DefinitionA member of the class of hydroquinones that is benzene-1,4-diol substituted by a methoxy group at position 5 and a prop-en-1-yl group at position 2 which in turn is substituted by a 3-hydroxy-4-methoxyphenyl group at position 1. It has been isolated from Pterocarpus santalinus.
Last Modified5 November 2013
DownloadsMolfile
FormulaC17H18O5
Net Charge0
Average Mass302.326
Monoisotopic Mass302.11542
SMILESC=C[C@@H](c1ccc(OC)c(O)c1)c1cc(O)c(OC)cc1O
InChIInChI=1S/C17H18O5/c1-4-11(10-5-6-16(21-2)14(19)7-10)12-8-15(20)17(22-3)9-13(12)18/h4-9,11,18-20H,1H2,2-3H3/t11-/m0/s1
InChIKeyDYMCNECXSJAXPB-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Pterocarpus santalinus (ncbitaxon:1071199) heartwood (PO:0004512) PubMed (21488654) Dichloromethane soluble portion of MeOH extract of powdered heartwood
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
pterolinus G (CHEBI:67389) has role metabolite (CHEBI:25212)
pterolinus G (CHEBI:67389) has role plant metabolite (CHEBI:76924)
pterolinus G (CHEBI:67389) is a aromatic ether (CHEBI:35618)
pterolinus G (CHEBI:67389) is a hydroquinones (CHEBI:24646)
IUPAC Name 
2-[(1S)-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-yl]-5-methoxybenzene-1,4-diol
Registry NumbersSources
Reaxys:21548610Reaxys
Citations